Allicin

Suppliers

Names

[ CAS No. ]:
539-86-6

[ Name ]:
Allicin

[Synonym ]:
2-Propene-1-sulfinothioic acid, S-2-propenyl ester (9CI)
AllS(O)SAll
S-Allyl prop-2-ene-1-sulfinothioate
Allisure Liquid
Allicin
alliosan
AlliMed
ARICINE(P)
S-Allyl 2-propene-1-sulfinothioate
Allisatin
2-Propene-1-sulfinothioic acid, S-2-propen-1-yl ester
S-prop-2-en-1-yl prop-2-ene-1-sulfinothioate
S-2-propenyl 2-propenethiosulfinate
Allantolin Allicin
Allitrid
allyl 2-propenethiosulfinate
ALLICIN(SH)
allyl 2-propenylthiosulfinate
S-2-propen-1-yl 2-propene-1-sulfinothioate
Dianyctrsnlgide
EINECS 208-727-7

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
248.6±43.0 °C at 760 mmHg

[ Melting Point ]:
25°C

[ Molecular Formula ]:
C6H10OS2

[ Molecular Weight ]:
162.27

[ Flash Point ]:
104.2±28.2 °C

[ Exact Mass ]:
162.017303

[ PSA ]:
61.58000

[ LogP ]:
1.19

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UD1900000
CHEMICAL NAME :
2-Propene-1-sulfinic acid, thio-, S-allyl ester
CAS REGISTRY NUMBER :
539-86-6
BEILSTEIN REFERENCE NO. :
1752823
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H10-O-S2
MOLECULAR WEIGHT :
162.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
120 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 66,1950,1944
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 66,1950,1944

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2309901000

Precursor & DownStream

Precursor

  • Diallyl disulfide
  • S-Allyl-D-cysteine Sulfoxide
  • Alliin
  • alliin
  • S-Allyl-L-cysteine
  • Allyl mercaptan
  • allyl bromide
  • 2-Methylthiirane
  • Peracetic acid
  • Chloroform

DownStream

  • Diallyl disulfide
  • Allyl Sulfide
  • Diallyl trisulfide
  • Diallyl Tetrasulfide
  • Pentasulfide, di-2-propenyl
  • diallyl hexasulfide
  • Allyl mercaptan
  • 3-vinyl-4H-1,2-dithiin
  • 2-vinyl-4H-1,3-dithiin

Customs

[ HS Code ]: 2309901000