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539-86-6

539-86-6 structure
539-86-6 structure

Name Allicin
Synonyms 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
Description Allicin (diallyl thiosulfinate), a highly potent natural antimicrobial activity substance, inhibits growth of a variety of microorganisms, among them antibiotic-resistant strains[1].
Related Catalog
In Vitro Allicin exhibits comparable MICs (32-64 μg/mL) toward methicillin-resistant S. aureus ATCC 43300, the type strain S. aureus DSM 20231, E. coli DSM 30083, A. baumannii DSM 30007, and C. albicans DSM 1386[1].
References

[1]. Rahman, et al. Allicin and Other Functional Active Components in Garlic: Health Benefits and Bioavailability[J]. International Journal of Food Properties, 2007, 10(2):245-268.

[2]. Müller A, et al. Allicin Induces Thiol Stress in Bacteria through S-Allylmercapto Modification of ProteinCysteines. J Biol Chem. 2016 May 27;291(22):11477-90.

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

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
Hazard Codes Xi
HS Code 2309901000
HS Code 2309901000
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