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S3872651

PESTANAL ,analyticalstandard , 57-06-7

Synonym(s):
AITC;Oil of mustard

CAS NO.:57-06-7

Empirical Formula: C4H5NS

Molecular Weight: 99.15

MDL number: MFCD00004822

EINECS: 200-309-2

Update time: 2022-07-08

PRODUCT Properties

Melting point: -80 °C
Boiling point: 151 °C
Density  1.013 g/mL at 25 °C(lit.)
FEMA  2034 | ALLYL ISOTHIOCYANATE
refractive index  n20/D 1.529(lit.)
Flash point: 115 °F
storage temp.  2-8°C
solubility  Chloroform (Sparingly), Methanol (Slightly)
form  Fine Crystalline Powder
color  White
Odor at 0.01 % in propylene glycol. strong pungent mustard
Odor Type sulfurous
Water Solubility  2 g/L (20 ºC)
Sensitive  Moisture Sensitive
Merck  14,295
JECFA Number 1560
BRN  773748
Dielectric constant 17.199999999999999
Stability: Stable. Combustible. Incompatible with oxidizing agents, acids, water, alcohols, strong bases, amines. Darkens on aging.
LogP 2.15
CAS DataBase Reference 57-06-7(CAS DataBase Reference)
IARC 3 (Vol. 73, Sup 7) 1999
NIST Chemistry Reference Allyl isothiocyanate(57-06-7)
EPA Substance Registry System Allyl isothiocyanate (57-06-7)

Description and Uses

Allyl isothiocyanate, also known as mustard oil, is a synthetic flavoring agent that is used as an artificial oil of mustard and as an imitation horseradish flavor with application in condiments, meats, and pickles at 87 ppm. It has additional applications as an antiseptic, antiamebic, manufacture of flavors and war gas.

Safety

Symbol(GHS) 
GHS02,GHS05,GHS06,GHS09
Signal word  Danger
Hazard statements  H226-H302-H310+H330-H314-H317-H410
Precautionary statements  P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes  T,N
Risk Statements  10-24/25-36/37/38-42/43-50/53-43-23/24/25-34-25
Safety Statements  26-36/37-45-60-61-36/37/39-28B-24-16-23-7/8
RIDADR  UN 1545 6.1/PG 2
WGK Germany  3
RTECS  NX8225000
8-9-13-19
TSCA  Yes
HazardClass  6.1
PackingGroup  II
HS Code  29309070
Hazardous Substances Data 57-06-7(Hazardous Substances Data)
Toxicity LD50 orally in rats: 339 mg/kg (Jenner)

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