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

isopropyl mercaptan
2-propanethiol

Sponsors

Name:propane-2-thiol
CAS Number: 75-33-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:200-861-4
FDA UNII:E52LR62ETC
Nikkaji Web:J2.390F
Beilstein Number:0605260
MDL:MFCD00004863
CoE Number:11565
XlogP3-AA:1.30 (est)
Molecular Weight:76.16176000
Formula:C3 H8 S
BioActivity Summary:listing
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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:510 2-propanethiol
FLAVIS Number:12.197 (Old)
DG SANTE Food Flavourings:12.197 propane-2-thiol
FEMA Number:3897 2-propanethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-PROPANETHIOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.81400 to 0.81900 @ 25.00 °C.
Pounds per Gallon - (est).: 6.773 to 6.815
Refractive Index:1.42800 to 1.43400 @ 20.00 °C.
Melting Point:-131.00 °C. @ 760.00 mm Hg
Boiling Point: 57.00 to 60.00 °C. @ 760.00 mm Hg
Vapor Pressure:245.815994 mm/Hg @ 25.00 °C. (est)
Vapor Density:2.6 ( Air = 1 )
Flash Point: -29.00 °F. TCC ( -33.89 °C. )
logP (o/w): 1.795 (est)
Soluble in:
 alcohol
 oils
 water, 4835 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl mercaptan
amyl mercaptan
isoamyl mercaptan
sec-amyl mercaptan
tert-amyl mercaptan
benzyl mercaptan
buchu mercaptan
butyl mercaptan
isobutyl mercaptan
tert-butyl mercaptan
cetyl mercaptan
cyclohexyl mercaptan
cyclopentyl mercaptan
decyl mercaptan
dodecyl mercaptan
2-ethyl hexyl mercaptan
ethyl mercaptan
ethylene mercaptan
furfuryl mercaptan
grapefruit mercaptan
heptyl mercaptan
hexyl mercaptan
methyl mercaptan
2-naphthyl mercaptan
nonyl mercaptan
octyl mercaptan
peach mercaptan
1-phenethyl mercaptan
2-phenethyl mercaptan
phenyl mercaptan
prenyl mercaptan
propyl mercaptan
2-thienyl mercaptan
3-thienyl mercaptan
tridecyl mercaptan
undecyl mercaptan
 
Organoleptic Properties:
Odor Type: alliaceous
Odor Strength:very high ,
recommend smelling in a 0.01 % solution or less
Substantivity:9 hour(s) at 100.00 %
ripe onion gassy meaty sulfurous
Odor Description:at 0.10 % in propylene glycol. strong ripe onion gassy meaty sulfurous
Luebke, William tgsc, 1993)
Odor sample from: Sigma-Aldrich
onion sharp pungent meaty sulfurous brothy chicken
Odor Description:at 0.01 % in ethyl alcohol. Onion, sharp and pungent, meaty sulfurous, brothy chicken and poultry-like
Mosciano, Gerard P&F 24, No. 6, 10, (1999)
Flavor Type: eggy
eggy egg yolk sulfurous chicken leek onion
Taste Description: at 50.00 - 500.00 ppm. Soft-boiled egg yolk, hydrogen sulfide, rich mouth feel, strong poultry, leek and onion-like
Mosciano, Gerard P&F 24, No. 6, 10, (1999)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Advanced Biotech
ISOPROPYL MERCAPTAN NATURAL
Advanced Biotech
ISOPROPYL MERCAPTAN SYNTHETIC
Beijing Lys Chemicals
2-Propanethiol
Chevron Phillips
isoPropyl Mercaptan
DeLong Chemicals America
2-Propanethiol
Jinan Enlighten Chemical Technology(Wutong Aroma )
2-Propanethiol Kosherk
M&U International
isoPropane Thiol, Kosher
Penta International
2-PROPANETHIOL, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
2-Propanethiol
Sigma-Aldrich
2-Propanethiol, ≥98%
Odor: meaty; sulfurous; alliaceous (onion, garlic)
Certified Food Grade Products
Synerzine
2-Propanethiol
TCI AMERICA
For experimental / research use only.
2-Propanethiol >96.0%(GC)
Tengzhou Jitian Aroma Chemiclal
isoPropyl Mercaptan
 
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 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
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 33 - Take precautionary measures against static discharge.
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:
inhalation-mouse LC50 130000 mg/m3/1H
BEHAVIORAL: REGIDITY SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
National Technical Information Service. Vol. OTS0571940

 
Safety in Use Information:
Category: flavoring agents
Recommendation for isopropyl mercaptan usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 18
 average usual ppmaverage maximum ppm
baked goods: 0.100005.00000
beverages(nonalcoholic): 0.100005.00000
beverages(alcoholic): --
breakfast cereal: 0.100005.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100005.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100005.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100005.00000
milk products: 0.100005.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 20.00000200.00000
snack foods: --
soft candy: 0.100005.00000
soups: 0.100005.00000
sugar substitutes: --
sweet sauces: 0.100005.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species
View page or View pdf

EPI System: View
NLM Hazardous Substances Data Bank:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):75-33-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6364
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2402
WGK Germany:3
propane-2-thiol
Chemidplus:0000075332
EPA/NOAA CAMEO:hazardous materials
RTECS:TZ7302000 for cas# 75-33-2
 
References:
 propane-2-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:75-33-2
Pubchem (cid):6364
Pubchem (sid):134970893
 
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
FDA Everything Added to Food in the United States (EAFUS):View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C08391
HMDB (The Human Metabolome Database):HMDB31634
FooDB:FDB008281
Export Tariff Code:2930.90.9190
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2-Propanethiol
Formulations/Preparations:
•liquid grade pennwalt corp •technical grade phillips chemical
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
methyl furfuryl disulfide
FL/FR
propyl mercaptan
FL/FR
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ferula assa-foetida absolute
FL/FR
fish thiol
FL/FR
2-
mercaptopropionic acid
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
3-(
methyl thio) hexanol
FL/FR
onion oil
FL/FR
For Flavor
No flavor group found for these
allyl methyl disulfide
FL
allyl methyl trisulfide
FL
allyl propyl disulfide
FL
allyl propyl sulfide
FL
allyl propyl trisulfide
FL
iso
amyl mercaptan
FL
benzyl methyl sulfide
FL
diethyl trisulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
dipropyl sulfide
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
ethyl propyl trisulfide
FL
heptyl mercaptan
FL
3-
mercapto-2-methyl pentanol
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
2-(
methyl thio) methyl-2-butenal
FL
2-
methyl-1-butane thiol
FL
2-
methyl-1-butanol
FL/FR
1,9-
nonane dithiol
FL
propenyl propyl disulfide
FL
iso
propyl disulfide
FL
propyl mercaptan
FL/FR
2,3,5-
trithiahexane
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
diethyl disulfide
FL
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
leek oil
FL
3-
mercapto-2-pentanone
FL
methyl 3-mercaptobutanoate
FL
2-
methyl thioacetaldehyde
FL
cabbage
methyl 2-thiofuroate
FL
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
methyl furfuryl disulfide
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
earthy
1,8-
octane dithiol
FL
fatty
4-
methyl nonanoic acid
FL/FR
2,4-
octadien-1-ol
FL
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
meaty
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
furfuryl 2-methyl-3-furyl disulfide
FL
meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
bis(2-
methyl-3-furyl) disulfide
FL
2-
methyl-3-tetrahydrofuran thiol
FL
pyrazinyl ethane thiol
FL
ortho-
thiocresol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
3-(
methyl thio) hexanol
FL/FR
musty
2-
methyl 5-(methyl thio) furan
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
seafood
1,4-
dithiane
FL
sulfurous
allyl sulfide
FL
2,3-
butane dithiol
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
diallyl trisulfide
FL
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
fish thiol
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
methyl 2-(methyl thio) butyrate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl thiomethyl butyrate
FL
2-
methyl thiophene
FL
onion oil
FL/FR
onion oleoresin
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
 
Potential Uses:
FLchicken
 chocolate cocoa
FLcoffee
FLegg
FLturkey
 
Occurrence (nature, food, other):note
 beer
Search PMC Picture
 garlic
Search Trop Picture
 onion
Search Trop Picture
 potato plant
Search Trop Picture
 
Synonyms:
2-mercaptopropane
1-methyl ethane thiol
1-methylethanethiol
2-propane thiol
isopropane thiol
 propane-2-thiol
2-propanethiol
isopropanethiol
2-propyl mercaptan
isopropyl thiol
2-propylmercaptan
isopropylmercaptan
isopropylthiol
 
 
Notes:
Food additive listed on the EAFUS Food Additive Database (Jan. 2001)
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