thiophenol

CAS No. 108-98-5

Formula: C6H6S
Basic Info

Thiophenol is an organosulfur compound with the formula C6H5SH, sometimes abbreviated as PhSH. This foul-smelling colourless liquid is the simplest aromatic thiol. The chemical structures of thiophenols are analogous to phenols except the oxygen atom in the hydroxyl group (-OH) bonded to the aromatic ring is replaced by a sulfur atom. The prefix thio- implies a sulfur-containing compound and when used before a root word name for a compound which would normally contain an oxygen atom, in the case of 'thiol' that the alcohol oxygen atom is replaced by a sulfur atom.
Thiophenols also describes a class of compounds formally derived from thiophenol itself. All have a sulfhydryl group (-SH) covalently bonded to an aromatic ring. The organosulfur ligand in the medicine thiomersal is a thiophenol.

Formula
C6H6S
Molecular Weight
110.177
Exact Mass
110.019
LogP
1.9753
PSA
38.8
Synonyms

phenyl mercaptan

Benzenethiol

benzene-thiol

thio-pheno

2-mercaptobenzene

Benzolthiol

Thiohenol

Thiophenol

FEMA 3616

Thiofenol

phenylthiol

USAF XR-19

mercaptobenzene

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Properties
Appearance & Physical State
clear liquid with a repulsive odor
Density
1.078
Boiling Point
167-169ºC
Melting Point
-15ºC
Flash Point
50ºC
Refractive Index
1.588-1.59
Water Solubility
insoluble
Stability
Stable. Flammable. May form explosive mixtures with air. Stench. Incompatible with strong oxidizing agents.
Storage Condition
Store at RT.
Vapor Density
3.8 (vs air)
Vapor Pressure
1.4 mm Hg ( 20 °C)
Safety Info
RTECS
DC0525000
Safety Statements
S16-S26-S28-S36/37/39-S45
WGK Germany
3
Risk Statements
R10; R24/25; R26; R36/37/38
HS Code
2930909090
RIDADR
UN 2337
Hazard Class
6.1
Packing Group
I
Caution Statement
P210; P280; P302 + P352 + P310; P304 + P340 + P310; P370 + P378
Hazard Codes
MSDS
SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name thiophenol

1.2 Other means of identification

Product number -
Other names phenyl mercaptan

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 4

Acute toxicity - Oral, Category 2

Acute toxicity - Dermal, Category 2

Skin irritation, Category 2

Eye irritation, Category 2A

Acute toxicity - Inhalation, Category 1

Reproductive toxicity, Category 2

Specific target organ toxicity – single exposure, Category 2

Specific target organ toxicity – single exposure, Category 3

Specific target organ toxicity – repeated exposure, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

No signal word.

Hazard statement(s)

H226 Flammable liquid and vapour

H300 Fatal if swallowed

H310 Fatal in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H330 Fatal if inhaled

H335 May cause respiratory irritation

H361 Suspected of damaging fertility or the unborn child

H372 Causes damage to organs through prolonged or repeated exposure

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P262 Do not get in eyes, on skin, or on clothing.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P370+P378 In case of fire: Use ... to extinguish.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P310 Immediately call a POISON CENTER/doctor/…

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P320 Specific treatment is urgent (see ... on this label).

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P308+P311 IF exposed or concerned: Call a POISON CENTER/doctor/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P403 Store in a well-ventilated place.

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
thiophenol thiophenol 108-98-5 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Marked potential for causing eye changes. May cause death (EPA, 1998)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Sulfur and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Solid streams of water may be ineffective. Use foam, dry chemical, or carbon dioxide. /Phenyl mercaptan/

5.2 Specific hazards arising from the chemical

When heated to decomposition or on contact with acids, it emits toxic fumes of sulfur oxides. May be ignited by heat, sparks or flames. Container may explode in heat of fire. Vapor explosion and poison hazard indoors, outdoors or in sewers. Unstable, oxidizes in air. Avoid contact with acids. (EPA, 1998)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: chemical protection suit including self-contained breathing apparatus. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents. /Phenyl mercaptan/

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from strong oxidants, strong acids and food and feedstuffs.Conditions for safe storage, including any incompatibilities: Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 15 Minute Ceiling Value: 0.1 ppm (0.5 mg/cu m).

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state clear liquid with a repulsive odor
Colour Water-white liquid
Odour Repulsive, penetrating, garlic-like odor, especially when impure
Melting point/ freezing point -15ºC
Boiling point or initial boiling point and boiling range 169°C(lit.)
Flammability Class II Combustible Liquid: Fl.P. at or above 37.78°C and below 60°C.Flammable. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 50°C
Auto-ignition temperature no data available
Decomposition temperature no data available
pH Feebly acidic
Kinematic viscosity no data available
Solubility In water:insoluble
Partition coefficient n-octanol/water (log value) log Kow = 2.52
Vapour pressure 1.4 mm Hg ( 20 °C)
Density and/or relative density 1.073g/mLat 25°C(lit.)
Relative vapour density 3.8 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Flammable liquidPHENYL MERCAPTAN reacts with acids to generate toxic fumes of oxides of sulfur. [Lewis, 3rd ed., 1993, p. 1021]. Reacts exothermically with strong oxidizing agents.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong acids & bases, calcium hypochlorite, alkali metals [Note: Oxidizes on exposure to air].

10.6 Hazardous decomposition products

When heated to decomposition or on contact with acids it emits toxic fumes of SOx /sulfur oxides/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 46 mg/kg
  • Inhalation: LC50 Rat inhalation 33 ppm/4 hr
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Using a Warburg respirometer and activated sludge inocula, thiophenol reached 30-42% of its theoretical BOD in 6 days(1). Using a Warburg respirometer and phenol or resorcinol-adapted yeast cells isolated from soil, oxidation of thiophenol occurred after a 10-30 min test lag(2). Thiophenol, present at 100 mg/L, reached 0% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(3).

12.3 Bioaccumulative potential

An estimated BCF of 20 was calculated in fish for thiophenol(SRC), using a log Kow of 2.52(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of thiophenol can be estimated to be 230(SRC). According to a classification scheme(2), this estimated Koc value suggests that thiophenol is expected to have moderate mobility in soil. The pKa of thiophenol is 6.62(3), indicating that this compound will exist partially in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). The sorption coefficient for thiophenol to snow was measured as log Ki 3.65 cu m/sq m(5).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2337 IMDG: UN2337 IATA: UN2337

14.2 UN Proper Shipping Name

ADR/RID: PHENYL MERCAPTAN
IMDG: PHENYL MERCAPTAN
IATA: PHENYL MERCAPTAN

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: I IMDG: I IATA: I

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
thiophenol thiophenol 108-98-5 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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Name: Thiophenol Material Safety Data Sheet
Synonym: Benzenethiol; Mercaptobenzene; Phenol, thio-; Penyl mercaptan; Thiofenol
CAS: 108-98-5
Section 1 - Chemical Product   MSDS Name:Thiophenol Material Safety Data Sheet
Synonym:Benzenethiol; Mercaptobenzene; Phenol, thio-; Penyl mercaptan; Thiofenol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
108-98-5 Thiophenol 97-100 203-635-3
Hazard Symbols: T+
Risk Phrases: 10 26 36/37/38 24/25

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Very toxic by inhalation. Irritating to eyes, respiratory system and skin. Toxic in contact with skin and if swallowed.Stench.
Potential Health Effects
Eye:
Causes severe eye irritation and possible burns. May cause reversible inflammation and corneal injury with opacity.
Skin:
May be fatal if absorbed through the skin. Causes severe skin irritation and possible burns. May cause severe dermatitis and burns. Substance is readily absorbed through the skin. May cause cyanosis of the extremities.
Ingestion:
May be fatal if swallowed. May cause severe gastrointestinal tract irritation with nausea, vomiting and possible burns. May form methemoglobin which in sufficient concentration causes cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood).
Inhalation:
Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.
Inhalation may produce burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting.
Causes severe respiratory tract irritation with possible burns.
Inhalation at high concentrations may cause CNS depression and asphixiation. Causes irritation of the mucous membrane.
Chronic:
Absorption into the body leads to the formation of methemoglobin which in sufficient concentrations causes cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood).
Prolonged exposure can injure liver, kidneys and lungs. This substance has caused adverse reproductive and fetal effects in laboratory animals.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. Do not use mouth-to-mouth resuscitation if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Cover with an activated carbon adsorbent and place into a closed container for disposal. Remove all sources of ignition.
Use a spark-proof tool. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Do not get in eyes, on skin, or on clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use only under a chemical fume hood. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 108-98-5: Belgium - TWA: 0.5 ppm VLE; 2.3 mg/m3 VLE France - VME: 0.5 ppm VME; 2 mg/m3 VME Germany: 2 mg/m3 TWA Malaysia: 0.5 ppm TWA; 2.3 mg/m3 TWA Netherlands: 0.5 ppm MAC; 2 mg/m3 MAC Spain: 0.5 ppm VLA-ED; 2.3 mg/m3 VLA-ED Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear, colorless
Odor: garlic-like odor
pH: Not available.
Vapor Pressure: 1.6 mm Hg @ 25 C
Viscosity: Not available.
Boiling Point: 167 - 169 deg C @ 760.00mm Hg
Freezing/Melting Point: -15 deg C
Autoignition Temperature: Not applicable.
Flash Point: 50 deg C ( 122.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Insoluble.
Specific Gravity/Density: 1.0780g/cm3
Molecular Formula: C6H6S
Molecular Weight: 110.17

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Oxidizes when exposed to air. Air sensitive. Can decompose at high temperatures forming gases, such as toxic sulfur oxides and toxic and flammable hydrogen sulfide.
Conditions to Avoid:
Incompatible materials, ignition sources, exposure to air, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, strong bases, calcium hypochlorite, alkalies, air.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen sulfide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 108-98-5: DC0525000 LD50/LC50:
CAS# 108-98-5: Draize test, rabbit, eye: 108 mg Severe; Inhalation, mouse: LC50 = 28 ppm/4H; Inhalation, rat: LC50 = 33 ppm/4H; Oral, mouse: LD50 = 267 mg/kg; Oral, mouse: LD50 = 266 mg/kg; Oral, rat: LD50 = 46200 ug/kg; Oral, rat: LD50 = 223 mg/kg; Skin, rabbit: LD50 = 134 mg/kg; Skin, rat: LD50 = 300 mg/kg.
Carcinogenicity:
Thiophenol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: PHENYL MERCAPTAN
Hazard Class: 6.1 (3)
UN Number: 2337
Packing Group:
IMO
Shipping Name: PHENYL MERCAPTAN
Hazard Class: 6.1 (3)
UN Number: 2337
Packing Group: I
RID/ADR
Shipping Name: PHENYL MERCAPTAN
Hazard Class: 6.1
UN Number: 2337
Packing group: II
USA RQ: CAS# 108-98-5: 100 lb final RQ; 45.4 kg final RQ

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+
Risk Phrases:
R 10 Flammable.
R 24/25 Toxic in contact with skin and if swallowed.
R 26 Very toxic by inhalation.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 108-98-5: 3
Canada
CAS# 108-98-5 is listed on Canada's DSL List.
CAS# 108-98-5 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 108-98-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
Apiezon M
Retention index
999.
Temperature Control
130.
Method
isothermal
Comments
He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m
Reference
Garbuzov, V.G.Misharina, T.A.Aerov, A.F.Golovnya, R.V.Gas chromatographic retention indices for sulphur(II)-containing organic substancesJ. Anal. Chem. USSR (Engl. Transl.)1985, 40, 4, 576-586.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Packed
Active Phase(℃)
Apiezon M
Retention index
999.
Temperature Control
130.
Method
isothermal
Comments
Chromosorb W, AW/DMS; Column length: 2.1 m
Reference
Golovnya, R.V.Garbuzov, V.G.Aerov, A.F.Gas chromatographic characterization of sulfur-containing compounds. 5. Thiophene, furan, and benzene derivativesIzv. Akad. Nauk SSSR Ser. Khim.1978, 11, 2271-2274.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
Squalane
Retention index
942.
Temperature Control
120.
Method
isothermal
Comments
N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
Reference
Agrawal, B.B.Tesarík, K.Janák, J.Gas chromatographic characterization of sulphur compounds in the 93-162° gasoline cut from Romashkino crude oil using Kováts retention indicesJ. Chromatogr.1972, 65, 1, 207-215.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
Squalane
Retention index
933.
Temperature Control
86.
Method
isothermal
Comments
N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
Reference
Agrawal, B.B.Tesarík, K.Janák, J.Gas chromatographic characterization of sulphur compounds in the 93-162° gasoline cut from Romashkino crude oil using Kováts retention indicesJ. Chromatogr.1972, 65, 1, 207-215.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
Apiezon L
Retention index
966.
Temperature Control
120.
Method
isothermal
Comments
N2; Column length: 100. m; Column diameter: 0.3 mm
Reference
Agrawal, B.B.Tesarík, K.Janák, J.Gas chromatographic characterization of sulphur compounds in the 93-162° gasoline cut from Romashkino crude oil using Kováts retention indicesJ. Chromatogr.1972, 65, 1, 207-215.

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