1.Identification
1.1 GHS Product identifier
Product name | 3-Isothiocyanato-1-propene |
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1.2 Other means of identification
Product number | - |
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Other names | - |
1.3 Recommended use of the chemical and restrictions on use
Identified uses | For industry use only. Food additives -> Flavoring Agents |
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Uses advised against | no data available |
1.4 Supplier's details
Company | MOLBASE (Shanghai) Biotechnology Co., Ltd. |
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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 |
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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 3
Acute toxicity - Oral, Category 4
Acute toxicity - Dermal, Category 2
Skin irritation, Category 2
Eye irritation, Category 2
Acute toxicity - Inhalation, Category 2
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2
2.2 GHS label elements, including precautionary statements
Pictogram(s) | |
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Signal word | Danger |
Hazard statement(s) | H226 Flammable liquid and vapour H302 Harmful if swallowed H310 Fatal in contact with skin H315 Causes skin irritation H319 Causes serious eye irritation H330 Fatal if inhaled H411 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. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. 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. P273 Avoid release to the environment. |
Response | P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P310 Immediately call a POISON CENTER/doctor/… P321 Specific treatment (see ... on this label). 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). P391 Collect spillage. |
Storage | P403+P235 Store in a well-ventilated place. Keep cool. 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 |
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3-Isothiocyanato-1-propene | 3-Isothiocyanato-1-propene | 8007-40-7 | 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. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention .
4.2 Most important symptoms/effects, acute and delayed
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)
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
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.
5.2 Specific hazards arising from the chemical
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water. (ERG, 2016)
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
Evacuate danger area! Personal protection: complete protective clothing including self-contained breathing apparatus. 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
Environmental considerations: Land spill: Dig a pit, pong, lagoon, holding area to contain liquid or solid material. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete.
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
Fireproof. Separated from strong oxidants, acids and food and feedstuffs. Well closed. Store only if stabilized.Safe Storage: Fireproof. Separated from strong oxidants, acids and food and feedstuffs. Well closed. Store only if stabilized.
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 | Allyl isothiocyanate, stabilized is a colorless to pale-yellow oily liquid with an irritating odor. Flash point 57.22°C. Boiling point 148.89°C. Poisonous by ingestion and skin absorption. Emits toxic fumes when heated to high temperature. Insoluble in water and slightly denser than water. Hence sinks in water. Used to make other chemicals and as a fumigant. |
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Colour | Colorless to pale yellow, oily liquid |
Odour | Very pungent |
Melting point/ freezing point | -44.44°C |
Boiling point or initial boiling point and boiling range | 151.11°C at 760 mm Hg |
Flammability | Flammable. Gives off irritating or toxic fumes (or gases) in a fire. |
Lower and upper explosion limit / flammability limit | no data available |
Flash point | 46.11°C |
Auto-ignition temperature | no data available |
Decomposition temperature | no data available |
pH | no data available |
Kinematic viscosity | no data available |
Solubility | less than 0.1 mg/mL at 18.89°C |
Partition coefficient n-octanol/water (log value) | log Kow = 2.15 (est) |
Vapour pressure | 5 mm Hg at 25.28°C ; 10 mm Hg at 38.28°C |
Density and/or relative density | 1.0126 at 20°C |
Relative vapour density | 3.41 (Relative to Air) |
Particle characteristics | no data available |
10.Stability and reactivity
10.1 Reactivity
no data available
10.2 Chemical stability
Tends to darken on aging.
10.3 Possibility of hazardous reactions
Fire risk; combustible.A routine preparation by interaction of allyl chloride and sodium thiocyanate in an autoclave at 5.5 bar exploded violently at the end of the reaction. Peroxides were not present or involved and no other cause could be found, but extensive decomposition occurred when allyl isothiocyanate was heated to 250°C. in glass ampoules [Ind. Eng. Chem. 1941:19 1408].
10.4 Conditions to avoid
no data available
10.5 Incompatible materials
Dangerous...on contact with acid or acid fumes, it emits highly toxic fumes of /cyanides, oxides of sulfur, and oxides of nitrogen/.
10.6 Hazardous decomposition products
When heated to decomposition or on contact with acid or acid fumes it emits highly toxic fumes of /cyanides, oxides of sulfur, and oxides of nitrogen/.
11.Toxicological information
Acute toxicity
- Oral: LD50 Rat oral 339 mg/kg (10% solution in corn oil)
- Inhalation: no data available
- 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
Evaluation: There is inadequate evidence in humans for the carcinogenicity of allyl isothiocyanate. There is limited evidence in experimental animals for the carcinogenicity of allyl isothiocyanate. Overall evaluation: Allyl isothiocyanate is not classifiable as to its carcinogenicity to humans (Group 3).
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: Pimephales promelas (fathead minnow); Conditions: flow-through bioassay with measured concentrations, 25.1°C, dissolved oxygen 6.9 mg/L, and pH 7.8; Concentration: 85.6 ug/L for 96 hr
- 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: A mean half-life of 2 days in 6 different soils maintained at 75% moisture capacity and 20°C was reported for allyl isothiocycanate, present at 500 ug/g wet soil. When maintained under aerobic conditions, transformation rates were not affected(1), suggesting that biodegradation is not an important environmental fate process(SRC).
12.3 Bioaccumulative potential
An estimated BCF of 12 was calculated in fish for allyl isothiocyanate(SRC), using an estimated log Kow of 2.15(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 allyl isothiocyanate can be estimated to be 260(SRC). According to a classification scheme(2), this estimated Koc value suggests that allyl isothiocyanate is expected to have moderate mobility in soil.
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: no data available | IMDG: no data available | IATA: no data available |
14.2 UN Proper Shipping Name
ADR/RID: no data available |
IMDG: no data available |
IATA: no data available |
14.3 Transport hazard class(es)
ADR/RID: no data available | IMDG: no data available | IATA: no data available |
14.4 Packing group, if applicable
ADR/RID: no data available | IMDG: no data available | IATA: no data available |
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 |
---|---|---|---|
3-Isothiocyanato-1-propene | 3-Isothiocyanato-1-propene | 8007-40-7 | 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 18, 2017 |
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Revision Date | Aug 18, 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/
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