propenyl propyl disulfide
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :1-propyldisulfanylprop-1-ene
InChI :InChI=1/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3
InChIKey :AAPBYIVJOWCMGH-UHFFFAOYAU
SMILES :CCCSS\C=C\C
cas number :5905-46-4
(EINECS) number :227-604-9
fema number :3227
coe number :11699
jecfa number :570
fl. number :12.044
molar refractivity :45.89 ± 0.3 cm3
parachor :359.3 ± 4.0 cm3
index of refraction :1.527 ± 0.02
surface tension :33.7 ± 3.0 dyne/cm
density :0.994 ± 0.06 g/cm3
polarizability :18.19 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 148.2894800 (IUPAC)
formula :C6 H12 S2
NMR Predictor :Predict
 
 
IUPAC name :(E)-1-propyldisulfanylprop-1-ene
InChI :InChI=1/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKey :AAPBYIVJOWCMGH-HWKANZROBX
SMILES :CCCSS\C=C\C
cas number :23838-21-3
molar refractivity :45.89 ± 0.3 cm3
parachor :359.3 ± 4.0 cm3
index of refraction :1.527 ± 0.02
surface tension :33.7 ± 3.0 dyne/cm
density :0.994 ± 0.06 g/cm3
polarizability :18.19 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 148.2894800 (IUPAC)
formula :C6 H12 S2
NMR Predictor :Predict
 
 
IUPAC name :(Z)-1-propyldisulfanylprop-1-ene
InChI :InChI=1/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-
InChIKey :AAPBYIVJOWCMGH-HYXAFXHYBU
SMILES :CCCSS\C=C/C
cas number :23838-20-2
molar refractivity :45.89 ± 0.3 cm3
parachor :359.3 ± 4.0 cm3
index of refraction :1.527 ± 0.02
surface tension :33.7 ± 3.0 dyne/cm
density :0.994 ± 0.06 g/cm3
polarizability :18.19 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 148.2894800 (IUPAC)
formula :C6 H12 S2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Jiangyin Healthway :Allyl propyl disulfide
organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  		cooked onion
properties :
appearence :colorless clear liquid
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
refractive index :1.52200 to 1.53200 @ 20.00 °C.
boiling point : 78.00 to 80.00 °C. @ 13.00 mm Hg
flash point : 148.00  °F.  TCC  ( 64.44 °C. )
logP (o/w) : 4.08
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
 
recommendation for propenyl propyl disulfide fragrance usage levels up to :
 not for fragrance use.
recommendation for propenyl propyl disulfide flavor usage levels up to :
  2.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 
1-propyldisulfanylprop-1-ene
(EINECS) number :227-604-9
chemidplus :005905464
EPA Substance Registry Services :5905-46-4
 
 
 
(E)-1-propyldisulfanylprop-1-ene
chemidplus :005905464
EPA Substance Registry Services :23838-21-3
 
 
 
(Z)-1-propyldisulfanylprop-1-ene
chemidplus :23838-20-2
EPA Substance Registry Services :23838-20-2
references :
 
1-propyldisulfanylprop-1-ene
fl. number :12.044
jecfa number :570
NIST Chemistry WebBook :5905464
pubchem :5905-46-4
 
(E)-1-propyldisulfanylprop-1-ene
NIST Chemistry WebBook :1928720893
pubchem :204083
 
(Z)-1-propyldisulfanylprop-1-ene
NIST Chemistry WebBook :3369824764
pubchem :11078015
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 prop-1-enyl propyl disulfide
1-propenyl propyl disulfide
1-propyldisulfanylprop-1-ene
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
2-acetyl-2-thiazolineFL
 allyl disulfideFL
 allyl mercaptanFL
 allyl methyl disulfideFL
 allyl methyl sulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
 allyl sulfideFL
 allyl thiopropionateFL
isoamyl 3-methyl thiopropionateFL
isoamyl mercaptanFL
isoamyl propionateFL/FR
 asafetida absoluteFL/FR
 asafetida oilFL/FR
 benzyl mercaptanFL
 buchu mercaptanFL/FR
2,3-butane diolCS
1,3-butane dithiolFL
 butyl mercaptanFL
 cassis pentanoneFL/FR
 citronellyl acetateFL/FR
 coffee difuranFL
 cyclopentyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 dicyclohexyl disulfideFL
 diethyl disulfideFL
 diethyl trisulfideFL
 dimethyl disulfideFL
 dimethyl sulfideFL
 dimethyl trisulfideFL/FR
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
 dipropyl disulfideFL
 dipropyl sulfideFL
 dipropyl trisulfideFL
1,4-dithianeFL
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl 3-(furfuryl thio) propionateFL
 ethyl 3-octenoateFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
S-ethyl thioacetateFL
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
 garlic oleoresinFL
 geranyl methyl tiglate 
 heptanal dimethyl acetalFL/FR
 heptyl mercaptanFL
 maltyl isobutyrateFL/FR
 meaty dithianeFL
1-para-menthene-8-thiolFL/FR
3-mercapto-2-methyl pentanalFL
3-mercapto-2-methyl pentanolFL
3-mercapto-2-pentanoneFL
(R*,S*)-2-mercapto-3-butanolFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl 2-thiofuroateFL
 methyl 3-(methyl thio) propionateFL/FR
 methyl 3-mercaptobutanoateFL
2-methyl 5-(methyl thio) furanFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
2-(methyl thio) acetaldehydeFL
3-(methyl thio) hexanolFL
2-(methyl thio) methyl-2-butenalFL
3-(methyl thio) propanolFL
 methyl thiomethyl butyrateFL
2-methyl-1-butanolFL/FR
bis(2-methyl-3-furyl) disulfideFL
2-octen-4-oneFL/FR
 onion oilFL
 onion oleoresinFL
 passiflora acetateFL/FR
1-penten-3-olFL/FR
 phenethyl acetateFL/FR
 pomegranate 
isopropyl disulfideFL
 propyl isobutyrateFL/FR
 propyl mercaptanFL/FR
isopropyl mercaptanFL
 propyl thioacetateFL
ortho-thiocresolFL
2,3,5-trithiahexaneFL
 tropical 3-thiobutyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 viridiflorolFL/FR
potential uses :
 chive
 fruit tropical fruit
 onion
natural occurrence in :    note
data pageblood orange oil italy @ 5.90% S
 chive S
 onion S

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 02/21/2010