EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

diisopropyl sulfide
2,2'-thiobispropane

Supplier Sponsors

Name:2-propan-2-ylsulfanylpropane
CAS Number: 625-80-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-911-7
Nikkaji Web:J43.414K
MDL:MFCD00008895
CoE Number:542
XlogP3:2.80 (est)
Molecular Weight:118.24258000
Formula:C6 H14 S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
FLAVIS Number:12.016 (Old)
DG SANTE Food Flavourings:12.016 diisopropyl sulfide
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 92.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.81000 to 0.81800 @ 20.00 °C.
Pounds per Gallon - (est).: 6.748 to 6.815
Refractive Index:1.43500 to 1.44200 @ 20.00 °C.
Melting Point: -78.10 °C. @ 760.00 mm Hg
Boiling Point: 120.00 to 122.00 °C. @ 760.00 mm Hg
Boiling Point: 120.00 °C. @ 763.00 mm Hg
Vapor Pressure:15.000000 mm/Hg @ 20.00 °C.
Vapor Density:4.0 ( Air = 1 )
Flash Point: 45.00 °F. TCC ( 7.22 °C. )
logP (o/w): 2.840
Soluble in:
 alcohol
 water, 382.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous vegetable garlic
Odor Description:at 0.10 % in propylene glycol. sulfury vegetable garlic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Diisopropyl Sulfide
Carbosynth
For experimental / research use only.
Diisopropyl Sulfide
Endeavour Specialty Chemicals
Di-isopropyl sulphide 99% F&F
Speciality Chemical Product Groups
Penta International
isoPROPYL SULFIDE
R C Treatt & Co Ltd
Di-isopropyl sulphide
Robinson Brothers
Di-isopropyl sulphide F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
Isopropyl sulfide
Sigma-Aldrich: Aldrich
For experimental / research use only.
Isopropyl sulfide 99%
Taytonn
IsoPropyl Sulphide
TCI AMERICA
For experimental / research use only.
Diisopropyl Sulfide >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Diisopropyl Sulfide
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for diisopropyl sulfide usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):625-80-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12264
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
2-propan-2-ylsulfanylpropane
Chemidplus:0000625809
 
References:
 2-propan-2-ylsulfanylpropane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:625-80-9
Pubchem (cid):12264
Pubchem (sid):134978073
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):HMDB29579
FooDB:FDB000735
YMDB (Yeast Metabolome Database):YMDB01478
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
sulfurous
dimethyl disulfide
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
For Flavor
No flavor group found for these
diisopropyl trisulfide
FL
3-
ethyl thiopropanol
FL
3-
methyl mercaptopropyl amine
FL
4-(
methyl thio) butanol
FL
2-
methyl-5-methoxythiazole
FL
alliaceous
alliaceous
allyl mercaptan
FL
benzyl mercaptan
FL
2-
methyl thioacetaldehyde
FL
truffle sulfide
FL
garlic
garlic oleoresin
FL
green
horseradish oil
FL
malty
yeast thiazoline
FL
sulfurous
butyl mercaptan
FL
dimethyl disulfide
FL/FR
ethyl methyl sulfide
FL
furfuryl methyl sulfide
FL
potato butanone
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
radish isothiocyanate
FL
 
Potential Uses:
FLbeef
FLbrandy
FLsavory
 
Occurrence (nature, food, other):note
 beef
Search PMC Picture
 brandy
Search PMC Picture
 
Synonyms:
 di-isopropyl sulphide
 diisopropyl sulphide
 diisopropylsulfide
2,4-dimethyl-3-thiapentane
 dipropan-2-yl sulfide
 methylethyl sulfide
2-(propan-2-ylsulfanyl)propane
2-propan-2-ylsulfanylpropane
 propane, 2,2'-thiobis-
isopropyl sulfide
isopropyl sulphide
2-(isopropylsulfanyl)propane
 sulfide, di-isopropyl
2,2'-thiobis propane
2,2'-thiobispropane
2,2'-thiodipropane
 

Articles:

 None found yet.
 
Notes:
Present in simulated meat flavours derived from autolysed baker's yeast
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