556-61-6 structure, C2H3NS

methyl isothiocyanate

CAS No.

556-61-6

Formula:

C2H3NS

Basic Info

Methyl isothiocyanate is the organosulfur compound with the formula CH3N=C=S. This low melting colorless solid is a powerful lachrymator. As a precursor to a variety of valuable bioactive compounds, it is the most important organic isothiocyanate in industry.

Formula
C2H3NS
Molecular Weight
73.1169
Exact Mass
72.9986
LogP
0.719
PSA
44.45
Synonyms

methylimino(sulfanylidene)methane

Methane, isothiocyanato-

isothiocyanatomethane

Methyl isothiocyanate

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Properties

Appearance & Physical State
colourless solid
Density
1.069
Boiling Point
117-120ºC
Melting Point
30-36ºC
Flash Point
32ºC
Refractive Index
1.487
Water Solubility
7.6 g/L
Stability
Stable. Incompatible with strong oxidizing agents, alcohols, strong bases, amines.
Storage Condition
2-8ºC
Vapor Pressure
21 mm Hg ( 20 °C)

Safety Info

RTECS
PA9625000
Safety Statements
S36/37-S38-S45-S60-S61
WGK Germany
3
Risk Statements
R23/25; R34; R43; R50/53
RIDADR
UN 2477
Hazard Class
6.1
Packing Group
I
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 methyl isothiocyanate

1.2 Other means of identification

Product number -
Other names Methane, isothiocyanato-

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 3

Skin corrosion, Category 1B

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 3

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

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H314 Causes severe skin burns and eye damage

H317 May cause an allergic skin reaction

H331 Toxic if inhaled

H410 Very 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.

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

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

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P273 Avoid release to the environment.

Response

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

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

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/…

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

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

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

P311 Call a POISON CENTER/doctor/…

P391 Collect spillage.

Storage

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
methyl isothiocyanate methyl isothiocyanate 556-61-6 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

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

Very toxic; probable human oral lethal dose is 50-500 mg/kg, or between 1 teaspoonful and 1 oz. for a 70 kg (150 lb.) person. Highly irritating to skin, mucous membrances, and eyes. Human oral minimum lethal dose: approximately 1 g/kg. (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. /Isocyanates, aliphatic thiocyanates, and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Evacuation: If fire becomes uncontrollable or container is exposed to direct flame - consider evacuation of one-third (1/3) mile radius.

5.2 Specific hazards arising from the chemical

(Non-Specific -- Pesticide, Solid, n.o.s.) This material may burn, but does not ignite readily. Fire may produce irritating or poisonous gases. When heated it emits very dangerous cyanides and sulfur compounds. Do not store below -4F or at elevated temperatures. Keep away from sparks. (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

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Decontamination of spilled isocyanates and disposal of isocyanate waste are best conducted by using aqueous ammonia (3-8% concentrated ammonia solution in 90-95% water with 0.2-5% liquid detergent) or aqueous sodium carbonate (5-10% sodium carbonate in 90-95% water and 0.2-5% liquid detergent). An alcoholic solution (50% ethanol, isopropyl alcohol, or butanol; 45% water; and 5% concentrated ammonia) may be preferred because of the low miscibility of isocyanates with water. /Isocyanates/

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

Store only in closed original container to prevent leakage. Store only in cool, well-ventilated, locked areas, away form food and feedstuff, out of reach of children and irresponsible persons. Avoid exposure to heat and/or direct sunlight. Do not drop container onto or slide across sharp objects. /MLPC Methylisothiocyanate (MITC)/

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

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 solid
Colour Colorless crystals
Odour Horseradish-like odor
Melting point/ freezing point 110°C(lit.)
Boiling point or initial boiling point and boiling range 117°C
Flammability no data available
Lower and upper explosion limit / flammability limit Lower 2.5%; Upper 30%. /MITC-Fume/
Flash point 35°C
Auto-ignition temperature 698 deg F. /MITC-Fume/
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:7.6 g/L
Partition coefficient n-octanol/water (log value) log Kow = 0.94
Vapour pressure 21 mm Hg ( 20 °C)
Density and/or relative density 1.069
Relative vapour density 2.53 (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

FlammableIsocyanates and thioisocyanates, such as METHYL ISOTHIOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Polyurethanes are formed by the condensation reaction of diisocyanates with, for example, ethyl glycol.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

... Can react vigorously with oxidizing materials.

10.6 Hazardous decomposition products

When heated to decomposition it emits very toxic fumes of /nitrogen oxides & sulfur oxides/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 97 mg/kg
  • Inhalation: LC50 Rat inhalation 1,900 mg/cu m/1 hr
  • Dermal: LD50 Mouse male percutaneous 1870 mg/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: LC50; Species: Lepomis macrochirus (Bluegill) age 4 months; Conditions: freshwater, flow through; Concentration: 142 ug/L for 96 hr (95% confidence interval: 88-250 ug/L) /94.9% pure formulation
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water Flea) age <24 hr; Conditions: freshwater, flow through; Concentration: 55 ug/L for 48 hr; Effect: intoxication, immobilization /95% pure formulation
  • Toxicity to algae: EC50; Species: Scenedesmus subspicatus (Green Algae); Conditions: freshwater, static; Concentration: 254 ug/L for 96 hr (95% confidence interval: 218-296 ug/L); Effect: population abundance /95.7% pure formulation
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: In a soil biodegradation study, the biodegradation of methyl isothiocyanate generally followed first order kinetics in soils previously untreated with the compound(1). In soils previously exposed to methyl isothiocyanate, the biodegradation was generally much faster and the biodegradation did not follow first order kinetics(1). Even in soils that were previously untreated with methyl isothiocyanate, an accelerated transformation (which did follow first order kinetics) was observed after an initial period (8-15 days) of first order transformation(1). Using the first order kinetics, the biodegradation half-life was estimated to range from 0.5 to 50 days(2). Generally, the transformation was appreciably faster in soils that have been previously treated with the chemical frequently(2). At or above concentrations of 0.8 mg/L, methyl isothiocyanate inhibited nitrification in the activated sludge process of sewage disposal(2). Methyl isothiocyanate was confirmed to be biodegradable according to a Netherlands study that employed 10 soils under field conditions(3). Soil core samples from Dutch agricultural fields with a 4 year history of methyl isothiocyanate treatment were incubated with the test compound for 1 to 14 days at 20°C; 50% degradation times ranged from 0.5 to 9 days(3). In the laboratory, it was observed that methyl isothiocyanate biodegradation is influenced by factors such as nursery history, fumigant application rates, and freshness of tested soils(4). Methyl isothiocyanate, applied at 195-780 kg/hectacre and incubated at 22°C, exhibited half-lives of 3.14-11.20 days in Hayward, WI forest soils; half-lives in 3 Byromville, GA nursery soils ranged from 3.38-4.61 days(4).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for methyl isothiocyanate(SRC), using a log Kow of 0.94(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

The Koc of methyl isothiocyanate ranges from 3 to 14.5(1-4). According to a classification scheme(5), this Koc range suggests that methyl isothiocyanate is expected to have very high mobility in soil(SRC). Methyl isothiocyanate was shown to leach readily using repacked soil columns; nearly all the applied solution was recovered in the leachate(6). Using a soil column study that simulated environmental Moroccan conditions (0.84% organic matter, pH 7.6, 12.5% moisture, 4.28% clay, 12.32% loam, 83.41% sand), methyl isothiocyanate was shown to concentrate at the 0-40 cm soil layer within 24 hours(7).

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: UN2477 IMDG: UN2477 IATA: UN2477

14.2 UN Proper Shipping Name

ADR/RID: METHYL ISOTHIOCYANATE
IMDG: METHYL ISOTHIOCYANATE
IATA: METHYL ISOTHIOCYANATE

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
methyl isothiocyanate methyl isothiocyanate 556-61-6 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: Methyl Isothiocyanate Material Safety Data Sheet
Synonym: Isothiocyanatomethane; Isothiocyanic Acid, Methyl Ester; Methyl Mustard Oil
CAS: 556-61-6
Section 1 - Chemical Product   MSDS Name:Methyl Isothiocyanate Material Safety Data Sheet
Synonym:Isothiocyanatomethane; Isothiocyanic Acid, Methyl Ester; Methyl Mustard Oil

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
556-61-6 Methyl Isothiocyanate ca 100 209-132-5
Hazard Symbols: T
Risk Phrases: 23/25 34 43

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation and if swallowed. Causes burns. May cause sensitization by skin contact.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
May be fatal if absorbed through the skin. Causes skin burns. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material. This material is a vesicant, that is, it will induce blistering. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
Harmful if swallowed. May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. Human fatalities have been reported from acute poisoning. May cause systemic effects.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Repeated exposure may cause sensitization dermatitis. Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Will react with water to form toxic and corrosive fumes. Vapors may be heavier than air.
They can spread along the ground and collect in low or confined areas. Contact with metals may evolve flammable hydrogen gas.
Containers may explode when heated. Runoff to sewer may create fire or explosion hazard.
Extinguishing Media:
For large fires, use water spray, fog, or alcohol-resistant foam. Do NOT get water inside containers. Do NOT use straight streams of water. For small fires, use carbon dioxide, dry chemical, dry sand, or alcohol-resistant foam. Most foams will react with the material and release corrosive/toxic gases. Cool containers with flooding quantities of water until well after fire is out.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
Keep away from water. Corrosives area. Do not store in metal containers.

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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 556-61-6: Russia: 0.1 mg/m3 TWA Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear polyethylene gloves, apron, and/or clothing.
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear polyethylene gloves, apron, and/or 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: Crystals
Color: colorless
Odor: pungent odor
pH: Not available.
Vapor Pressure: 19 mm Hg @ 25C
Viscosity: Not available.
Boiling Point: 119 deg C @ 758mmHg
Freezing/Melting Point: 35.00 - 37.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Slightly soluble.
Specific Gravity/Density: 1.0690g/cm3
Molecular Formula: C2H3NS
Molecular Weight: 73.12

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Water, strong oxidizing agents, acids, strong bases, alcohols, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 556-61-6: PA9625000 LD50/LC50:
CAS# 556-61-6: Draize test, rabbit, eye: 100 mg Severe; Draize test, rabbit, skin: 500 mg/24H Moderate; Inhalation, rat: LC50 = 1900 mg/m3/1H; Oral, mouse: LD50 = 90 mg/kg; Oral, rat: LD50 = 72 mg/kg; Skin, rabbit: LD50 = 33 mg/kg; Skin, rat: LD50 = 2780 mg/kg.
Carcinogenicity:
Methyl Isothiocyanate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Bluegill/Sunfish: 0.13mg/L; 96HFish: Carp: 37mg/L; 96H Other For more information, see "HANDBOOK OF ENVIRONMENTAL FATE AND EXPOSURE DATA."

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: METHYL ISOTHIOCYANATE
Hazard Class: 6.1 (3)
UN Number: 2477
Packing Group:
IMO
Shipping Name: METHYL ISOTHIOCYANATE
Hazard Class: 6.1 (3)
UN Number: 2477
Packing Group: I
RID/ADR
Shipping Name: METHYL ISOTHIOCYANATE
Hazard Class: 6.1
UN Number: 2477
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/25 Toxic by inhalation and if swallowed.
R 34 Causes burns.
R 43 May cause sensitization by skin contact.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
S 38 In case of insufficient ventilation, wear
suitable respiratory equipment.
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# 556-61-6: 3
Canada
CAS# 556-61-6 is listed on Canada's DSL List.
CAS# 556-61-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 556-61-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Analysis Methods

Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
UCW-98
Retention index
725.6
Temperature Control
120.
Method
isothermal
Comments
N2, Chromosorb WAW DNCS; Column length: 1.8 m
Reference
Rajniaková, O.Floch, L.Study of the properties of ethyl isothiocyanatocarboxylates by means of gas chromatography and mass spectroscopyChem. Pap.1993, 47, 2, 106-108.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
705.
Temperature Control
Method
temperature ramp
Comments
20. m/0.18 mm/0.18 μm, 60. C @ 3. min, 8. K/min, 220. C @ 5. min
Reference
Rochat S.de Saint Laumer J.Y.Chaintreau A.Analysis of sulfur compounds from the in-oven roast beef aroma by comprehensive two-dimensional gas chromatographyJ. Chromatogr. A2007, 1147, 1, 85-94.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
709.
Temperature Control
Method
temperature ramp
Comments
20. m/0.18 mm/0.18 μm, 60. C @ 3. min, 8. K/min, 220. C @ 5. min
Reference
Rochat S.de Saint Laumer J.Y.Chaintreau A.Analysis of sulfur compounds from the in-oven roast beef aroma by comprehensive two-dimensional gas chromatographyJ. Chromatogr. A2007, 1147, 1, 85-94.
Van Den Dool and Kratz RI, non-polar column, custom temperature program
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
742.
Temperature Control
Method
custom temperature program
Comments
25. m/0.25 mm/0.25 μm, He; Program: 60C =&gt; 3C/min =&gt; 106C =&gt; 6C/min =&gt; 280C
Reference
Afsharypuor, S.Jeiran, K.Jazy, A.A.First investigation of the flavour profiles of the leaf, ripe fruit and root of Capparis spinosa var. mucronifolia from IranPharm. Acta Helv.1998, 72, 5, 307-309.
Van Den Dool and Kratz RI, polar column, custom temperature program
expand collapse
Column Shape
Capillary
Active Phase(℃)
CP-Wax 52CB
Retention index
1243.
Temperature Control
Method
custom temperature program
Comments
60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) =&gt; 10C/min =&gt; 80C =&gt; 2C/min =&gt; 240C
Reference
Romeo, V.Ziino, M.Giuffrrida, D.Condurso, C.Verzera, A.Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MSFood Chem.2007, 101, 3, 1272-1278.
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