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    General Material Information
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isopropyl mercaptan

Chemical Structure

General Material Information

Preferred name isopropyl mercaptan
Trivial Name 2-Propanethiol
Short Description 2-propanethiol
Formula C3 H8 S
CAS Number 75-33-2
FEMA Number 3897
Flavis Number 12.197
ECHA Number 200-861-4
FDA UNII E52LR62ETC
Nikkaji Number J2.390F
Beilstein Number 0605260
MDL MFCD00004863
COE Number 11565
xLogP3-AA 1.30 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 510 2-propanethiol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 75-33-2 ; 2-PROPANETHIOL
Synonyms
  • 2-mercaptopropane
  • 1-methyl ethane thiol
  • 1-methylethanethiol
  • 2-propane thiol
  • iso propane thiol
  • propane-2-thiol
  • 2-propanethiol
  • iso propanethiol
  • 2-propyl mercaptan
  • iso propyl thiol
  • 2-propylmercaptan
  • iso propylmercaptan
  • iso propylthiol
  • 2-Propanethiol
  • Isopropanethiol
  • Isopropylthiol
  • 2-Mercaptopropane
  • 1-Methylethanethiol
  • 2-Propylmercaptan
  • i-Propylthiol
  • NSC 87537
  • i-Propanethiol
  • BHR 6986

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C08391
HMDB (The Human Metabolome Database):HMDB31634
FooDB:FDB008281
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2-Propanethiol
Formulations/Preparations:
•liquid grade pennwalt corp •technical grade phillips chemical

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 76.161758422852
Specific gravity @ 25 °C
Pounds per Gallon 6.773 to 6.815
Refractive Index 1.428 to 1.434 @ 20 °C
Boiling Point 57 to 60°C @ 760 mm Hg
Vapor Pressure 245.815994 mmHg @ 25 °C
Vapor Density 2.6
Flash Point TCC Value -33.89 °C TCC
logP (o/w) 1.795 est
Solubility
alcohol Yes
oils Yes
water, 4835 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Alliaceous
ripe, onion, gassy, meaty, sulfurous, sharp, pungent, brothy, chicken
Odor strength very high , recommend smelling in a 0.01 % solution or less
Substantivity 9 hour(s) at 100.00 %
Luebke, William tgsc, 1993) At 0.10 % in propylene glycol. strong ripe onion gassy meaty sulfurous
Mosciano, Gerard P&F 24, No. 6, 10, (1999) At 0.01 % in ethyl alcohol. Onion, sharp and pungent, meaty sulfurous, brothy chicken and poultry-like
Flavor Type: Eggy
eggy, egg yolk, sulfurous, chicken, leek, onion
Mosciano, Gerard P&F 24, No. 6, 10, (1999) At 50.00 - 500.00 ppm. Soft-boiled egg yolk, hydrogen sulfide, rich mouth feel, strong poultry, leek and onion-like

Occurrences

Potential Uses

Applications
Flavoring purposes Chicken, Chocolate cocoa, Coffee, Egg, Turkey

Safety Information

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
Click here to view publication 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations: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