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

3-mercapto-2-methyl pentanol
3-mercapto-2-methylpentan-1-ol (racemic)

Supplier Sponsors

Name:2-methyl-3-sulfanylpentan-1-ol
CAS Number: 227456-27-1Picture of molecule3D/inchi
FDA UNII:7XRY329G5S
Nikkaji Web:J1.340.022I
MDL:MFCD08741458
XlogP3-AA:1.60 (est)
Molecular Weight:134.24178000
Formula:C6 H14 O S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate. According to JECFA: The racemate was used in the toxicological evaluation. Mixture of four diastereoisomers, each about 25 % (EFFA, 2014).
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:1291 3-mercapto-2-methylpentan-1-ol (racemic)
FLAVIS Number:12.238 (Old)
DG SANTE Food Flavourings:12.238 3-mercapto-2-methylpentan-1-ol (racemic)
FEMA Number:3996 3-mercapto-2-methylpentan-1-ol (racemic)
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):227456-27-1 ; 3-MERCAPTO-2-METHYL-1-PENTANOL
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.98500 to 0.99500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.196 to 8.279
Refractive Index:1.48000 to 1.49000 @ 20.00 °C.
Boiling Point: 50.00 °C. @ 0.50 mm Hg
Boiling Point: 205.00 °C. @ 760.00 mm Hg (est)
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.061000 mmHg @ 25.00 °C. (est)
Flash Point: 172.00 °F. TCC ( 77.80 °C. ) (est)
logP (o/w): 1.626 (est)
Soluble in:
 alcohol
 water, slightly
 water, 3658 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 onion
Odor Description:at 0.10 % in propylene glycol. sulfurous onion
Flavor Type: alliaceous
alliaceous brothy burnt cooked meaty metallic roasted sulfurous
Taste Description: alliaceous brothy burnt cooked meaty metallic roasted sulfurous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
3-Mercapto-2-methylpenta-1-ol
BOC Sciences
For experimental / research use only.
3-Mercapto-2-methylpentanol
DeLong Chemicals America
3-Mercapto-2-methylpenta-1-ol, Kosher
M&U International
3-MERCAPTO-2-METHYL PENTA-1-OL, Kosher
Natural Advantage
Mercapto-2-Methyl-1-Pentanol, 3- Nat, 1% in Triacetin Nat USOC
Flavor: alliaceous, brothy, burnt, cooked, meaty, metallic, roasted, sulphurous
Riverside Aromatics LTD.is the exclusive distributor for Europe in UK for any non-US based inquiries
Natural Advantage
Mercapto-2-Methyl-1-Pentanol, 3- Nat, 1% in Triacetin
Flavor: alliaceous, brothy, burnt, cooked, meaty, metallic, roasted, sulphurous
Penta International
3-MERCAPTO-2-METHYLPENTAN-1-OL NATURAL 1% IN TRIACETIN
Penta International
3-MERCAPTO-2-METHYLPENTAN-1-OL
R C Treatt & Co Ltd
3-Mercapto-2-methylpentanol
Kosher
Tianjin Danjun International
3-Mercapto-2-methylpenta-1-ol
WholeChem
3-Mercapto-2-methylpenta-1-ol
 
Safety Information:
 
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 3-mercapto-2-methyl pentanol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.01 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.70 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 348 (μg/person/day)
NOEL (No Observed Effect Level): 0.7 (mg/kg bw per day)
Threshold of Concern:1800 (μg/person/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: 20
 average usual ppmaverage maximum ppm
baked goods: 0.005000.05000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.003000.03000
cheese: --
chewing gum: --
condiments / relishes: 0.003000.03000
confectionery froastings: --
egg products: --
fats / oils: 0.005000.05000
fish products: 0.001000.01000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.005000.05000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.003000.03000
milk products: --
nut products: --
other grains: 0.001000.01000
poultry: --
processed fruits: --
processed vegetables: 0.001000.01000
reconstituted vegetables: 0.001000.01000
seasonings / flavors: 0.030001.00000
snack foods: 0.001000.01000
soft candy: --
soups: 0.003000.03000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.600002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.040001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.200001.50000
Confectionery (05.0): 0.750002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.620001.00000
Bakery wares (07.0): 0.800002.00000
Meat and meat products, including poultry and game (08.0): 0.730001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100001.00000
Eggs and egg products (10.0): 0.080001.00000
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.450001.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.500001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.100002.00000
Ready-to-eat savouries (15.0): 1.100005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 1 (FGE.74Rev1): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 2 (FGE.74Rev2): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 4 (FGE.74Rev4): Consideration of aliphatic sulphides and thiols evaluated by JECFA (53rd and 61st meeting) structurally related to aliphatic and alicyclic mono-, di-, tri- and polysulphides with or without additional oxygenated functional groups from chemical group 20 evaluated by EFSA in FGE.08Rev5
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6430888
National Institute of Allergy and Infectious Diseases:Data
2-methyl-3-sulfanylpentan-1-ol
Chemidplus:0227456271
 
References:
Leffingwell:Chirality or Article
 2-methyl-3-sulfanylpentan-1-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6430888
Pubchem (sid):10547578
 
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):HMDB34878
FooDB:FDB013453
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
propyl mercaptan
FL/FR
caramellic
strawberry furanone
FL/FR
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
creamy
2,3-
butane diol
FR
meaty
meaty dithiane
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ferula assa-foetida absolute
FL/FR
methyl 3-(methyl thio) propionate
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
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
4-
mercapto-3-methyl-2-butanol
FL
2-(
methyl thio) methyl-2-butenal
FL
2-
methyl-1-butanol
FL/FR
propenyl propyl disulfide
FL
iso
propyl disulfide
FL
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
3-
mercapto-2-pentanone
FL
methyl 3-mercaptobutanoate
FL
2-
methyl thioacetaldehyde
FL
propyl mercaptan
FL/FR
cabbage
methyl 2-thiofuroate
FL
caramellic
strawberry furanone
FL/FR
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
eggy
iso
propyl mercaptan
FL
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
meaty
meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
metallic
3-(
methyl thio) hexanol
FL/FR
musty
2-
methyl 5-(methyl thio) furan
FL/FR
onion
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
oyster
oyster flavor
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
seafood
1,4-
dithiane
FL
sulfurous
allyl sulfide
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
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
onion oil
FL/FR
onion oleoresin
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
 
Potential Uses:
FLgarlic
FLonion
 
Occurrence (nature, food, other):note
 wine
Search Picture
 
Synonyms:
racemic-3-mercapto-2-methyl pentan-1-ol
3-mercapto-2-methylpenta-1-ol
3-mercapto-2-methylpentan-1-ol
3-mercapto-2-methylpentan-1-ol (racemic)
3-mercapto-2-methylpentanol
2-methyl-3-sulfanylpentan-1-ol
 pentan-1-ol, 3-mercapto-2-methyl-
1-pentanol, 3-mercapto-2-methyl-
 

Articles:

PubMed:Evaluation of the key aroma compounds in beef and pork vegetable gravies a la chef by stable isotope dilution assays and aroma recombination experiments.
PubMed:Characterization of the key aroma compounds in beef and pork vegetable gravies รก la chef by application of the aroma extract dilution analysis.
PubMed:Odorous impact of volatile thiols on the aroma of young botrytized sweet wines: identification and quantification of new sulfanyl alcohols.
PubMed:Quantitation of the intense aroma compound 3-mercapto-2-methylpentan-1-ol in raw and processed onions (Allium cepa) of different origins and in other Allium varieties using a stable isotope dilution assay.
PubMed:Inhibition of peroxynitrite-mediated cellular toxicity, tyrosine nitration, and alpha1-antiproteinase inactivation by 3-mercapto-2-methylpentan-1-ol, a novel compound isolated from Allium cepa.
PubMed:Enantioselective syntheses and sensory properties of the 3-mercapto-2-methylpentanols.
PubMed:3-Mercapto-2-methylpentan-1-ol, a new powerful aroma compound.
 
Notes:
Aroma constit. of cut, raw onion. Powerful flavour compound
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