allyl propyl sulfide
 
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IUPAC name :3-propylsulfanylprop-1-ene
InChI :InChI=1/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3
InChIKey :JMLIYQJQKZYHDQ-UHFFFAOYAT
SMILES :CCCSCC=C
(EINECS) number :248-673-1
cas number :27817-67-0
molar refractivity :37.56 ± 0.3 cm3
parachor :310.5 ± 4.0 cm3
index of refraction :1.462 ± 0.02
surface tension :26.6 ± 3.0 dyne/cm
density :0.850 ± 0.06 g/cm3
polarizability :14.89 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 116.2244800
formula :C6 H12 S
BioActivity Analysis :439344
 
 
export tariff code :2930.90
fda reg :unspecified
 

Suppliers :
Oxford Chemicals Ltd :ALLYL PROPYL SULPHIDE
 ≥98.00%, NI, Kosher
 
 

organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
green onion garlic

properties :
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85600 - 0.86200 @ 20.00 °C.
pounds per gallon - calc. : 7.131 to 7.181
refractive index :1.46400 - 1.47000 @ 20.00 °C.
boiling point : 148.00 - 150.00 °C. @ 760.00 mm Hg
logp : 2.74

safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 102.00  °F.  TCC  ( 38.89 °C. )
  
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl propyl sulfide usage levels up to :
 not for fragrance use.
  

safety links :
(EINECS) number :248-673-1
chemidplus :027817670
epa-srs :27817-67-0
dtp/nci :164926
  
EPI System :Click here

other :
 

references :
pubchem :676091
NIST Chemistry WebBook :3645620573
  
synonyms :
 allyl propyl sulfide
 propenyl propyl sulfide
 propyl allyl sulfide
3-propyl sulfanyl prop-1-ene
3-propyl sulfanyl-1-propene
3-(propyl thio) propene
3-(propyl thio)-1-propene
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
2-acetyl-2-thiazoline
 allyl disulfide
 allyl mercaptan
 allyl methyl disulfide
 allyl methyl sulfide
 allyl methyl trisulfide
 allyl propyl disulfide
 allyl propyl trisulfide
 allyl sulfide
 allyl thiopropionate
isoamyl mercaptan
 asafetida absolute
 asafetida oil
 benzyl mercaptan
2,3-butane diol
1,3-butane dithiol
 butyl mercaptan
 coffee difuran
 cyclopentyl mercaptan
 diallyl polysulfides
 diallyl tetrasulfide
 diallyl trisulfide
 dicyclohexyl disulfide
 diethyl disulfide
 diethyl trisulfide
 diisopropyl sulfide
 diisopropyl trisulfide
 dimethyl disulfide
 dimethyl sulfide
 dimethyl sulfoxide
 dimethyl tetrasulfide
 dimethyl trisulfide
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuran
 dipropyl disulfide
 dipropyl sulfide
 dipropyl trisulfide
1,4-dithiane
 ethyl 3-(furfuryl thio) propionate
 ethyl isothiocyanate
 ethyl methyl sulfide
 ethyl methyl trisulfide
 ethyl propyl disulfide
 ethyl propyl trisulfide
S-ethyl thioacetate
 ethyl vinyl ketone
 furfuryl methyl sulfide
 furfuryl thiopropionate
 garlic oil china
 garlic oleoresin
 heptyl mercaptan
 hexyl mercaptan
 meaty dithiane
1-para-menthene-8-thiol
3-mercapto-2-methyl pentanal
3-mercapto-2-methyl pentanol
3-mercapto-2-pentanone
(R*,S*)-2-mercapto-3-butanol
 methyl 2-(methyl thio) butyrate
 methyl 2-methyl-3-furyl disulfide
 methyl 2-thiofuroate
 methyl 3-(methyl thio) propionate
 methyl 3-mercaptobutanoate
2-methyl 5-(methyl thio) furan
 methyl mercaptan
 methyl propyl disulfide
 methyl propyl trisulfide
2-(methyl thio) acetaldehyde
4-(methyl thio) butanol
S-(methyl thio) butyrate
3-(methyl thio) hexanol
bis(methyl thio) methane
2-(methyl thio) methyl-2-butenal
3-(methyl thio) propanol
1-(methyl thio)-2-butanone
 methyl thiomethyl butyrate
2-methyl-1-butanol
bis(2-methyl-3-furyl) disulfide
 onion oil
 onion oleoresin
 phenyl mercaptan
 propenyl propyl disulfide
isopropyl disulfide
 propyl mercaptan
isopropyl mercaptan
 propyl thioacetate
3-tetrahydrothiophenone
ortho-thiocresol
 tonka bean oleoresin
2,3,5-trithiahexane
(odor and/or flavor) used in :
 garlic
 leek
 onion
natural occurrence in :
leek heated leek
onion



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