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2050-87-5

Name Diallyl trisulfide
CAS 2050-87-5
EINECS(EC#) 218-107-8
Molecular Formula C6H10S3
MDL Number MFCD00040025
Molecular Weight 178.34
MOL File 2050-87-5.mol

Chemical Properties

Boiling point  bp6 92°; bp0.0008 66-67°
density  1.085
FEMA  3265
refractive index  nD20 1.5896
storage temp.  -20°C
solubility  Soluble in acetone, Ethanol(~3 mg/ml), DMSO (~5 mg/ml), and DMF (~10 mg/ml).
form  oil
color  Colorless to light yellow
Odor at 0.10 % in propylene glycol. garlic green onion metallic
Odor Type sulfurous
Water Solubility  insoluble in water.
JECFA Number 587
InChI InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey UBAXRAHSPKWNCX-UHFFFAOYSA-N
SMILES S(SCC=C)SCC=C
LogP 4.59
CAS DataBase Reference 2050-87-5(CAS DataBase Reference)
NIST Chemistry Reference Trisulfide, di-2-propenyl(2050-87-5)

Safety Data

RIDADR  2810
WGK Germany  3
RTECS  BC6168000
HazardClass  6.1(b)
PackingGroup  III
HS Code  29309090

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