dipropyl trisulfide
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IUPAC name :1-propylsulfanyldisulfanylpropane
InChI :InChI=1/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3
InChIKey :GAZXPZNJTZIGBO-UHFFFAOYAO
SMILES :CCCSSSCCC
cas number :6028-61-1
% from :85.00% to 99.00%
(EINECS) number :227-903-4
beilstein number :1736293
fema number :3276
coe number :726
jecfa number :585
fl. number :12.023
molar refractivity :53.83 ± 0.3 cm3
parachor :422.8 ± 4.0 cm3
index of refraction :1.548 ± 0.02
surface tension :38.7 ± 3.0 dyne/cm
density :1.076 ± 0.06 g/cm3
polarizability :21.34 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 182.3703600 (IUPAC)
formula :C6 H14 S3
NMR Predictor :Predict
 
 
IUPAC name :1-propyldisulfanylpropane
InChI :InChI=1/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
InChIKey :ALVPFGSHPUPROW-UHFFFAOYAZ
SMILES :CCCSSCCC
cas number :629-19-6
% from :1.00% to 15.00%
(EINECS) number :211-079-8
fema number :3228
coe number :540
jecfa number :566
fl. number :12.014
molar refractivity :45.84 ± 0.3 cm3
parachor :372.1 ± 4.0 cm3
index of refraction :1.501 ± 0.02
surface tension :32.8 ± 3.0 dyne/cm
density :0.966 ± 0.06 g/cm3
polarizability :18.17 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 150.3053600 (IUPAC)
formula :C6 H14 S2
BioActivity Analysis :48415288
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Frutarom :DIPROPYL TRISULPHIDE EXTRA
≥95.00%, NI, Kosher
Odor:  Alliaceous, Garlic, Onion
Suggested Uses: Meat, Savoury, Vegetables
Frutarom :DIPROPYL TRISULPHIDE
50% to 70%, NI, Kosher
Odor:  Alliaceous, Garlic, Onion
Suggested Uses: Garlic, Meat, Onion, Savoury, Vegetables
Givaudan :Dipropyltrisulfide
≥95%, NI, Kosher
Odor:  Onion,Sulphur,Garlic
This is a very powerful chemical with a diffusive onion-garlic note.
Penta :dipropyl trisulfide
Treatt :Dipropyl trisulphide
organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  		sulfurous green onion garlic tropical
odor description:
Sulfureous, alliaceous, pungent, green and onion-like with slight tropical and vegetative nuances
Mosciano, Gerard P&F 20, No. 5, 49, (1995)
taste description:
at 2.00 ppm.  		Alliaceous, sulfureous, green and garlic-like with a tin-like metallic undernote and with minty and tropical nuances
Mosciano, Gerard P&F 20, No. 5, 49, (1995)
properties :
appearence :colorless to pale yellow clear liquid
assay : 85.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.08000 to 1.10500 @ 20.00 °C.
pounds per gallon - calc. : 8.997 to 9.205
refractive index :1.55500 to 1.57500 @ 20.00 °C.
boiling point : 86.00 to 89.00 °C. @ 1.50 mm Hg
boiling point : 98.00 °C. @ 4.00 mm Hg
vapor density :6.2 ( Air = 1 )
flash point : 167.00  °F.  TCC  ( 75.00 °C. )
logP (o/w) : 5.06
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Oral-Mouse   [sex: M,F]  800.00 - 1600.00  mg/kg
(Moran et al., 1980)

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :7.30 (μg/capita/day)
 
recommendation for dipropyl trisulfide fragrance usage levels up to :
 not for fragrance use.
recommendation for dipropyl trisulfide flavor usage levels up to :
  25.0000 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
Chemical Carcinogenesis Research Information System :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
1-propylsulfanyldisulfanylpropane
(EINECS) number :227-903-4
chemidplus :006028611
EPA Substance Registry Services :6028-61-1
 
 
 
1-propyldisulfanylpropane
(EINECS) number :211-079-8
RTECS :JO1955000 for cas# 629-19-6
chemidplus :000629196
EPA Substance Registry Services :629-19-6
dtp/nci :75122
references :
 
1-propylsulfanyldisulfanylpropane
fl. number :12.023
jecfa number :585
NIST Chemistry WebBook :2737541896
pubchem :165047
 
1-propyldisulfanylpropane
fl. number :12.014
jecfa number :566
NIST Chemistry WebBook :3134425677
pubchem :155698
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 propyl trisulfide
1-(propyl trithio) propane
1-propylsulfanyldisulfanylpropane
 propyltrithioporpane
soluble in :
 alcohol
 oils
 water, slightly
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
 asafetida absoluteFL/FR
 asafetida oilFL/FR
 butyl mercaptanFL
 cyclopentyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 diethyl trisulfideFL
 dipropyl disulfideFL
 dipropyl sulfideFL
1,4-dithianeFL
 ethyl 3-(furfuryl thio) propionateFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
S-ethyl thioacetateFL
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
 garlic oleoresinFL
(R*,S*)-2-mercapto-3-butanolFL
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL
 methyl propyl trisulfideFL
2-(methyl thio) acetaldehydeFL
3-(methyl thio) hexanolFL
 propyl thioacetateFL
ortho-thiocresolFL
potential uses :
 chive
 garlic
 mango
 nut peanut
 onion
 pineapple
 scallion
 spearmint
natural occurrence in :    note
data pageblood orange oil italy @ 12.30% S
 chive S
 onion oil S
 peanut roasted peanut  
 shallot S

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