(E)-propenyl propyl trisulfide
 
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IUPAC name :(E)-1-propylsulfanyldisulfanylprop-1-ene
InChI :InChI=1/C6H12S3/c1-3-5-7-9-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKey :CKVNYTRYOFXVGM-HWKANZROBT
SMILES :CCCSSS\C=C\C
cas number :23838-27-9
molar refractivity :53.89 ± 0.3 cm3
parachor :410.0 ± 4.0 cm3
index of refraction :1.574 ± 0.02
surface tension :39.9 ± 3.0 dyne/cm
density :1.105 ± 0.06 g/cm3
polarizability :21.36 ± 0.5 10-24cm3
xlogp : 3.20
molecular weight : 180.3544800
formula :C6 H12 S3
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 257.00 to 258.00 °C. @ 760.00 mm Hg
logp : 5.11

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 226.00  °F.  TCC  ( 107.78 °C. )
recommendation for (E)-propenyl propyl trisulfide usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
 
 
 (E)-1-propylsulfanyldisulfanylprop-1-ene
chemidplus :023838279
EPA Substance Registry Services :23838-27-9
NLM Chemical Carcinogenesis Research Information System :23838-27-9
NLM Developmental and Reproductive Toxicity :23838-27-9
NLM Env. Mutagen Info. Center :23838-27-9
NLM GENetic TOXicology :23838-27-9

references :
 (E)-1-propylsulfanyldisulfanylprop-1-ene
pubchem :758359
NIST Chemistry WebBook :2234497100

other :
synonyms :
(E)-propenyl propyl trisulfide
(E)-1-propenyl propyl trisulfide
 propyl (E)-1-propenyl trisulfide
 propyl 1-propenyl trisulfide

soluble in :
 alcohol

insoluble in :
 water

stability :

natural occurrence in :
data pageblood orange oil italy @ 1.10%
data pageblood orange oil italy @ 2.10%



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