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

sec-amyl mercaptan
2-pentanethiol

Supplier Sponsors

Name:pentane-2-thiol
CAS Number: 2084-19-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-224-4
FDA UNII:529XY6M4QX
Nikkaji Web:J121.680E
MDL:MFCD00053516
XlogP3-AA:2.20 (est)
Molecular Weight:104.21564000
Formula:C5 H12 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
JECFA Food Flavoring:514 2-pentanethiol
FLAVIS Number:12.192 (Old)
DG SANTE Food Flavourings:12.192 pentane-2-thiol
FEMA Number:3792 2-pentanethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):2084-19-7 ; 2-PENTANETHIOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83200 @ 20.00 °C.
Refractive Index:1.44200 to 1.45200 @ 20.00 °C.
Melting Point:-169.00 °C. @ 760.00 mm Hg
Boiling Point: 112.00 to 114.00 °C. @ 760.00 mm Hg
Vapor Pressure:23.239000 mmHg @ 25.00 °C. (est)
Flash Point: 80.00 °F. TCC ( 26.67 °C. )
logP (o/w): 2.814 (est)
Soluble in:
 alcohol
 water, 599.2 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Odor Description:at 0.10 % in propylene glycol. sulfury gassy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Pentanethiol
DeLong Chemicals America
2-Pentanethiol
Endeavour Specialty Chemicals
2-Pentanethiol 98% F&F
Speciality Chemical Product Groups
M&U International
2-MERCAPTO PENTANE, Kosher
Penta International
2-PENTANETHIOL
R C Treatt & Co Ltd
2-Pentanethiol 10% in Triacetin
Kosher
R C Treatt & Co Ltd
2-Pentanethiol
Halal, Kosher
Robinson Brothers
2-Pentanethiol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Synerzine
2-Pentanethiol
Tengzhou Jitian Aroma Chemiclal
2-Mercapto pentane
WholeChem
2-Pentanethiol
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 10 - 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 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:
gavage-rat LD50 [sex: M,F] > 5000 mg/kg
(Collinson, 1989a)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for sec-amyl mercaptan usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.50 (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: 16
Click here to view publication 16
 average usual ppmaverage maximum ppm
baked goods: 0.060000.10000
beverages(nonalcoholic): 0.020000.04000
beverages(alcoholic): 0.010000.03000
breakfast cereal: 0.020000.05000
cheese: 0.001000.01000
chewing gum: 0.010000.10000
condiments / relishes: 0.020000.10000
confectionery froastings: 0.020000.10000
egg products: --
fats / oils: 0.005000.02000
fish products: --
frozen dairy: 0.020000.06000
fruit ices: 0.020000.04000
gelatins / puddings: 0.010000.05000
granulated sugar: --
gravies: 0.005000.05000
hard candy: 0.030000.10000
imitation dairy: 0.020000.06000
instant coffee / tea: 0.005000.05000
jams / jellies: 0.005000.05000
meat products: 0.005000.05000
milk products: 0.001000.01000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.010000.05000
soft candy: 0.050000.10000
soups: 0.001000.01000
sugar substitutes: --
sweet sauces: 0.010000.05000
 
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

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62424
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1111
WGK Germany:3
pentane-2-thiol
Chemidplus:0002084197
 
References:
 pentane-2-thiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):62424
Pubchem (sid):135021137
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB020872
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2-Pentanethiol
 
Potential Blenders and core components note
For Odor
fruity
2-
methyl-2-pentenal
FL/FR
herbal
(E)-2-
dodecenal
FL/FR
For Flavor
alliaceous
allyl thiopropionate
FL
diethyl disulfide
FL
fruity
2-
methyl-2-pentenal
FL/FR
waxy
(E)-2-
dodecenal
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 guava fruit
Search Trop Picture
 
Synonyms:
 amyl mercaptan, sec-
2-mercapto pentane
2-mercaptopentane
1-methyl butane thiol
1-methyl butyl hydrosulfide
1-methyl butyl mercaptan
1-methylbutanethiol
1-methylbutyl hydrosulfide
1-methylbutyl mercaptan
2-pentane thiol
 pentane-2-thiol
2-pentanethiol
2-pentanethiol 10% in triacetin
2-pentyl mercaptan
 

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Notes:
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