4-tert-Butyltoluene

CAS No. 98-51-1

Formula: C11H16
Basic Info

Formula
C11H16
Molecular Weight
148.245
Exact Mass
148.125
LogP
3.2925
PSA
0
Synonyms

Benzene, 1-(1,1-dimethylethyl)-4-methyl-

1-tert-butyl-4-methylbenzene

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Properties
Appearance & Physical State
colourless liquid
Density
0.8612
Boiling Point
189-192ºC
Melting Point
-54ºC
Flash Point
54ºC
Refractive Index
1.491-1.493
Water Solubility
0.06 g/100 mL (20 ºC)
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Condition
Flammables area
Safety Info
RTECS
XS8400000
Safety Statements
S16-S26-S28-S36/37/39-S45
WGK Germany
2
Risk Statements
R10; R22; R23; R36/37/38
HS Code
29029080
RIDADR
UN 2667/1992
Hazard Class
6.1
Packing Group
III
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 4-tert-Butyltoluene

1.2 Other means of identification

Product number -
Other names Benzene, 1-(1,1-dimethylethyl)-4-methyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 2

Reproductive toxicity, Category 2

Specific target organ toxicity – single exposure, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H330 Fatal if inhaled

H361 Suspected of damaging fertility or the unborn child

H370 Causes damage to organs

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

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.

P310 Immediately call a POISON CENTER/doctor/…

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/...

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

P391 Collect spillage.

Storage

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

P405 Store locked up.

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
4-tert-Butyltoluene 4-tert-Butyltoluene 98-51-1 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. Half-upright position. Refer immediately for medical attention.

In case of skin contact

Rinse and then wash skin with water and soap.

In case of eye contact

Rinse with plenty of water for several minutes (remove contact lenses if easily possible).

If swallowed

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Exposure Routes: inhalation, ingestion, skin and/or eye contact Symptoms: Irritation eyes, skin; dry nose, throat; headache; low blood pressure, tachycardia, abnormalities cardiovascular system stress; central nervous system, hematopoietic depression; metallic taste; liver, kidney injury Target Organs: Eyes, skin, respiratory system, cardiovascular system, central nervous system, bone marrow, liver, kidneys (NIOSH, 2016)

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

Flush eyes with water. Wash off contaminated areas of body with soap and water. Gastric lavage (stomach wash), if swallowed, followed by saline catharsis.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this compound should be controlled with a dry chemical, carbon dioxide or halon extinguisher.

5.2 Specific hazards arising from the chemical

This chemical is combustible.

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: self-contained breathing apparatus. Do NOT let this chemical enter the environment. Ventilation. 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

Absorb on paper. Evaporate on a glass or an iron dish in hood. Burn the paper.

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 food and feedstuffs and strong oxidants. Well closed. Keep in a well-ventilated room. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted avg: 10 ppm (60 mg/cu m)

Recommended Exposure Limit: 15 Min Short-Term Exposure Limit: 20 ppm (120 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 colourless liquid
Colour CLEAR, COLORLESS LIQ
Odour DISTINCT AROMATIC ODOR
Melting point/ freezing point 28°C(lit.)
Boiling point or initial boiling point and boiling range 193°C
Flammability Class IIIA Combustible Liquid: Fl.P. at or above 60°C and below 93.33°C.Combustible.
Lower and upper explosion limit / flammability limit no data available
Flash point 61°C(lit.)
Auto-ignition temperature 510°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:0.06 g/100 mL (20 ºC)
Partition coefficient n-octanol/water (log value) 4.35
Vapour pressure less than or equal to 1 mm Hg at 20°C
Density and/or relative density 0.8612
Relative vapour density 4.62 (AIR= 1)
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. Moderately dangerous fire risk.As a result of flow, agitation, etc., electrostatic charges can be generated.P-TERT-BUTYLTOLUENE may react with oxidizing materials.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Oxidizers.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: LC50 Rat inhalation 165 ppm/8 hr
  • Dermal: LD50 Rabbit percutaneous 13.8 to 27.8 ml/kg

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

Using a standard dilution method over a 5-day inoculation period and a seed from an effluent of a biological sanitary waste treatment plant, 4-t-butyltoluene was found to have a 2% theoretical BOD when the seed was not adapted and 6% theoretical BOD when the seed was adapted(1).

12.3 Bioaccumulative potential

Based upon a reported water solubility of 5.5 ppm at 25°C(1), the BCF for 4-t-butyltoluene can be estimated to be 236 from a recommended regression-derived equation(2,SRC). This estimated BCF indicates that some bioconcentration in aquatic organisms may occur(SRC).

12.4 Mobility in soil

Based upon a reported water solubility of 5.5 ppm at 25°C(1), the Koc for 4-t-butyltoluene can be estimated to be 1700 from a linear regression-derived equation(2,SRC). Using a structure estimation method based on molecular connectivity indexes, the Koc for 4-t-butyltoluene can be estimated to be 1900(3). These estimated Koc values indicate that 4-t-butyltoluene will have low mobility in soil(4).

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: UN2667 IMDG: UN2667 IATA: UN2667

14.2 UN Proper Shipping Name

ADR/RID: BUTYLTOLUENES
IMDG: BUTYLTOLUENES
IATA: BUTYLTOLUENES

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
4-tert-Butyltoluene 4-tert-Butyltoluene 98-51-1 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 Not 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: 4-tert-Butyltoluene Material Safety Data Sheet
Synonym: p-tert-Butyltoluene; p-Methyl-tert-butylbenzene; 1-Methyl-4-tert-butylbenzene; TBT; para-tertiary-Butyltoluene
CAS: 98-51-1
Section 1 - Chemical Product   MSDS Name:4-tert-Butyltoluene Material Safety Data Sheet
Synonym:p-tert-Butyltoluene; p-Methyl-tert-butylbenzene; 1-Methyl-4-tert-butylbenzene; TBT; para-tertiary-Butyltoluene

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
98-51-1 4-tert-Butyltoluene 96 202-675-9
Hazard Symbols: T
Risk Phrases: 10 22 23 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Harmful if swallowed. Toxic by inhalation. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Not expected to cause an allergic skin reaction. A single prolonged skin exposure is not likely to result in the material being absorbed in harmful amounts.
Ingestion:
Causes gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed. May cause central nervous system effects and/or neurological effects.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation. May produce cardiovascular effects. Inhalation may cause nausea and headache.
Chronic:
May cause bone marrow abnormalities with damage to blood forming tissues. Exposure to high concentrations may cause central nervous system depression.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. Vapors may form an explosive mixture with air.
During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors are heavier than air and may travel to a source of ignition and flash back. Vapors can spread along the ground and collect in low or confined areas.
This liquid floats on water and may travel to a source of ignition and spread fire.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. 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. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Take precautionary measures against static discharges. Keep container tightly closed. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Use only with adequate ventilation. Keep away from heat, sparks and flame. Avoid breathing vapor or mist.
Storage:
Keep away from heat, sparks, and flame. 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:
Use explosion-proof ventilation equipment. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 98-51-1: United States OSHA: 10 ppm TWA; 60 mg/m3 TWA Belgium - TWA: 1 ppm VLE; 6.2 mg/m3 VLE France - VME: 10 ppm VME; 60 mg/m3 VME Germany: 10 ppm TWA; 60 mg/m3 TWA Malaysia: 1 ppm TWA; 6.1 mg/m3 TWA Netherlands: 1 ppm MAC; 6.1 mg/m3 MAC Spain: 1 ppm VLA-ED; 6.2 mg/m3 VLA-ED Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
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 to pale yellow
Odor: aromatic odor - gasoline-like
pH: Not applicable.
Vapor Pressure: 0.65 mm Hg @ 25 deg C
Viscosity: 1.25 mPa 25 deg C
Boiling Point: 189-192 deg C @ 760 mmHg
Freezing/Melting Point: -54 deg C
Autoignition Temperature: 510 deg C ( 950.00 deg F)
Flash Point: 54 deg C ( 129.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density: .8612 @ 20/4C
Molecular Formula: C11H16
Molecular Weight: 148.25

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Ignition sources, excess heat, confined spaces.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 98-51-1: XS8400000 LD50/LC50:
CAS# 98-51-1: Draize test, rabbit, eye: 100 mg; Draize test, rabbit, skin: 500 mg/24H Mild; Inhalation, mouse: LC50 = 248 ppm/4H; Inhalation, rat: LC50 = 165 ppm/8H; Oral, mouse: LD50 = 778 mg/kg; Oral, rabbit: LD50 = 1728 mg/kg; Oral, rat: LD50 = 1555 mg/kg; Oral, rat: LD50 = 1600 mg/kg; Skin, rabbit: LD50 = 16934 mg/kg.
Carcinogenicity:
4-tert-Butyltoluene - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Goldfish: LC50 =3 mg/L; 24 Hr; UnspecifiedIf released to the atmosphere, TBT will degrade in the vapor-phase by reaction with photochemically produced hydroxyl radicals (estimated half-life of 2.2 days). If released to water, volatilization will be an important process. Volatilization half-lives ranging from 3.6 hrs to 13 days can be estimated. If released to soil, low mobility is expected since TBT adsorbs strongly. Evaporation from dry surfaces should occur.

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Flammable Liquid, Toxic, N.O.S.
Hazard Class: 3
UN Number: 1992
Packing Group: III
IMO
Shipping Name: Flammable Liquid, Toxic, N.O.S.
Hazard Class: 3
UN Number: 1992
Packing Group: III
RID/ADR
Shipping Name: Flammable Liquid, Toxic, N.O.S.
Hazard Class: 6.1
UN Number: 1992
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 10 Flammable.
R 22 Harmful if swallowed.
R 23 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# 98-51-1: 2
Canada
CAS# 98-51-1 is listed on Canada's DSL List.
CAS# 98-51-1 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 98-51-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
expand collapse
IR Spectrum IR : CCl4 solution
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Mass Spectrum Mass
expand collapse
Raman Spectrum Raman : 4880 A,200 M,liquid
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Analysis Methods
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-1
Retention index
1072.
Temperature Control
60.
Method
isothermal
Comments
N2; Column length: 25. m; Column diameter: 0.20 mm
Reference
Zhang, M.J.Li, S.D.Chen, B.J.Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractionsChromatographia1992, 33, 3/4, 138-146.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-1
Retention index
1072.
Temperature Control
60.
Method
isothermal
Comments
N2; Column length: 25. m; Column diameter: 0.20 mm
Reference
Zhang, M.J.Li, S.D.Chen, B.J.Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractionsChromatographia1992, 33, 3/4, 138-146.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1085.
Temperature Control
100.
Method
isothermal
Comments
N2; Column length: 50. m; Column diameter: 0.30 mm
Reference
Gerasimenko, V.A.Nabivach, V.M.Relationship between molecular structure and gas chromatographic retention of alkylbenzenes C8-C1 2 on polydimethylsiloxaneZh. Anal. Khim.1982, 37, 110-116.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1091.
Temperature Control
120.
Method
isothermal
Comments
N2; Column length: 50. m; Column diameter: 0.30 mm
Reference
Gerasimenko, V.A.Nabivach, V.M.Relationship between molecular structure and gas chromatographic retention of alkylbenzenes C8-C1 2 on polydimethylsiloxaneZh. Anal. Khim.1982, 37, 110-116.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1097.
Temperature Control
140.
Method
isothermal
Comments
N2; Column length: 50. m; Column diameter: 0.30 mm
Reference
Gerasimenko, V.A.Nabivach, V.M.Relationship between molecular structure and gas chromatographic retention of alkylbenzenes C8-C1 2 on polydimethylsiloxaneZh. Anal. Khim.1982, 37, 110-116.

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