Collection
zero Useful+1
zero

Allyl isothiocyanate

Organic compound
Allyl isothiocyanate is an organic compound with chemical formula C four H five NS, It is mainly used to prepare spices and mustard essence for pickles, cans, sauces, condiments, etc., as well as fumigants, military gases, etc.
On October 27, 2017, the list of carcinogens published by the International Agency for Research on Cancer of the World Health Organization (WHO) was preliminarily sorted out for reference. Allyl isothiocyanate was included in the list of three types of carcinogens. [2]
Chinese name
Propylene isothiocyanate
Foreign name
allyl isothiocyanate
chemical formula
C four H five NS
molecular weight
ninety-nine point one five four
CAS login number
57-06-7
EINECS login number
200-309-2
Melting point
-80 ℃
Boiling point
151 ℃
Water solubility
Slightly soluble
Density
1.017 g/cm³
Appearance
Colorless to yellowish oily liquid
Flash point
46 ℃ (CC)
Security description
S16;S23;S24;S26;S28B;S36/37/39;S45;S60;S61
Hazard symbol
T
Hazard description
R10;R23/24/25;R36/37/38;R43;R50/53

Physical and chemical properties

Announce
edit
Density: 1.017g/cm three
Melting point: - 80 ℃
Boiling point: 151 ℃
Flash point: 46 ℃ (CC)
Refractive index: 1.529 (20 ℃)
Saturated vapor pressure: 1.33kPa (38.3 ℃)
Appearance: colorless to yellowish oily liquid
Solubility: slightly soluble in water, miscible in ethanol, ether, carbon disulfide and other organic solvents [1]

Molecular structure data

Announce
edit
Molar refractive index: 31.17
Molar volume (cm three /mol):108.8
Isotonic specific volume (90.2K): 249.8
Surface tension (dyne/cm): 27.7
Polarization (10 -24 cm three ):12.35 [1]

Calculate chemical data

Announce
edit
Calculation reference value of drainage parameter (XlogP): 2.4
Number of hydrogen bond donors: 0
Number of hydrogen bond receptors: 1
Number of rotatable chemical bonds: 2
Number of tautomers: 0
Topological molecular polar surface area (TPSA): 12.4
Number of heavy atoms: 6
Surface charge: 0
Complexity: 81.5
Number of isotope atoms: 0
Determine the number of atomic structure centers: 0
Number of uncertain atomic structure centers: 0
Determine the number of chemical bond structure centers: 0
Number of uncertain chemical bond structure centers: 0
Number of covalent bond units: 1 [1]

toxicology data

Announce
edit
1. Acute toxicity
LD fifty : 112mg/kg (rat oral); 88mg/kg (rabbit percutaneous)
2. Irritation
Rabbit percutaneous; 2mg, causing irritation.
3. Mutagenicity
Microbial mutagenesis: Salmonella typhimurium 100 μ g/plate.
Mammalian somatic mutation: mouse lymphocytes 400 μ g/L.
Cytogenetic analysis: hamster ovary 5mg/L.
Sister chromatid exchange: hamster ovary 160 μ g/L.
DNA damage: human ascites tumor 50 μ mol/L (24h)
4. Carcinogenicity
IARC carcinogenicity review: G3, insufficient evidence of carcinogenicity to humans and animals.
5. Others
The lowest subcutaneous toxic dose (TDLo) of rats: 100mg/kg (8~9 days of pregnancy), causing embryotoxicity (delayed embryonic development) [1]

purpose

Announce
edit
It is mainly used to prepare spices and mustard essence for pickles, cans, sauces, condiments, etc., as well as fumigants, military gases, etc.

Protective measures

Announce
edit
Engineering control: strictly sealed, providing sufficient local ventilation. Mechanize and automate as much as possible. Provide safety shower and eyewash equipment.
Respiratory system protection: wear a self-priming filter type gas mask (full mask) when you may be exposed to poisons. It is recommended to wear oxygen respirator during emergency rescue or evacuation.
Body protection: wear polyethylene gas protective clothing.
Hand protection: wear rubber oil resistant gloves.
Other protection: smoking, eating and drinking are prohibited at the work site. Clean thoroughly after work. Store the clothes contaminated by poisons separately and use them after washing. The workshop shall be equipped with first-aid equipment and medicines. Operators shall learn to save themselves and each other.

First aid measures

Announce
edit
Skin contact: Take off contaminated clothes immediately, and wash skin thoroughly with soapy water and clean water. Get medical attention.
Eye contact: immediately lift the eyelid, and thoroughly flush it with a large amount of flowing water or physiological saline for at least 15 minutes. Get medical attention.
Inhalation: quickly leave the site to a place with fresh air. Keep the respiratory tract unobstructed. If breathing is difficult, give oxygen. If breathing stops, perform artificial respiration immediately. Get medical attention.
Ingestion: drink enough warm water to induce vomiting. Get medical attention.

Leakage treatment

Announce
edit
Evacuate the personnel in the leakage contaminated area to the safety area quickly, isolate them for 150m immediately, and strictly restrict access. Cut off the ignition source. It is recommended that emergency personnel wear self-contained positive pressure respirators and anti poison clothing. Do not touch the leakage directly. Cut off the leakage source as much as possible. Prevent from flowing into restricted spaces such as sewers and flood discharge ditches.
Small amount of leakage: absorb with activated carbon or other inert materials. A large amount of water can also be used for flushing, and the diluted washing water will be discharged into the waste water system.
Large amount of leakage: build a dike or dig a pit to receive. Cover with foam to reduce steam disaster. Transfer to tank car or special collector with pump, and recycle or transport to waste disposal site for disposal.

Operation, storage and transportation

Announce
edit
Precautions for operation: closed operation, providing sufficient local ventilation. The operation shall be mechanized and automated as far as possible. Operators must be specially trained and strictly abide by the operating procedures. It is recommended that operators wear self-priming filter gas masks (full face masks), polyethylene gas suits and rubber oil resistant gloves. Keep away from kindling and heat sources, and smoking is strictly prohibited in the workplace. Use explosion-proof ventilation systems and equipment. Prevent vapor leakage into the air of the workplace. Avoid contact with oxidants, acids and alkalis. Load and unload gently during transportation to prevent damage to packaging and containers. Fire fighting equipment and leakage emergency treatment equipment of corresponding types and quantities shall be provided. Empty containers may leave harmful substances.
Precautions for storage: store in a cool, dry and well ventilated warehouse. Keep away from kindling and heat sources. The package shall be sealed and shall not contact with air. It shall be stored separately from oxidants, acids, alkalis and edible chemicals, and mixed storage is strictly prohibited. Explosion proof lighting and ventilation facilities shall be adopted. It is prohibited to use mechanical equipment and tools that are easy to generate sparks. The storage area shall be equipped with leakage emergency treatment equipment and appropriate materials.
Precautions for transportation: Before transportation, check whether the packaging container is complete and sealed. During transportation, ensure that the container does not leak, collapse, fall or damage. It is strictly prohibited to mix with acids, oxidants, food and food additives. The transport vehicles shall be equipped with corresponding types and quantities of fire-fighting equipment and leakage emergency treatment equipment. During transportation, it shall be protected from sun exposure, rain and high temperature. The tank (tank) car used for transportation shall be equipped with grounding chain, and the tank can be equipped with hole partition to reduce static electricity generated by vibration. Keep away from kindling and heat sources during stopover. Road transportation shall be carried out according to the specified route.

security information

Announce
edit

Safety terminology

S16:Keep away from sources of ignition - No smoking.
Keep away from ignition sources and no smoking.
S23:Do not breathe gas/fumes/vapour/spray.
Do not breathe gas/smoke/vapor/spray.
S24:Avoid contact with skin.
Avoid skin contact.
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
After eye contact, immediately flush with plenty of water and seek medical advice.
S28B:After contact with skin, wash immediately with plenty of water and soap.
After skin contact, wash with plenty of water and soap immediately.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Wear appropriate protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the lable where possible).
In case of an accident or feeling unwell, seek medical advice immediately (show the label if possible).
S60:This material and/or its container must be disposed of as hazardous waste.
The substance and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions/Safety data sheets.
To avoid release into the environment, refer to special instructions/safety receipt instructions.

Risk terminology

R10:Flammable.
Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Toxic by inhalation, in contact with skin, and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Irritating to eyes, respiratory system and skin.
R43:May cause sensitization by skin contact.
Skin contact may cause irritation.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
It is extremely toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment.