3-mercapto-2-methyl pentanol
3-mercapto-2-methylpentan-1-ol (racemic)
 
Notes:
Aroma constit. of cut, raw onion. Powerful flavour compound
  • Beijing Lys Chemicals
    • Beijing Lys Chemicals Co, LTD.
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      BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services.
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      10157 3-Mercapto-2-methylpenta-1-ol
       
  • BOC Sciences
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      Product(s):
      227456-27-1 3-Mercapto-2-methylpentanol
       
  • Endeavour Specialty Chemicals
    • Endeavour Specialty Chemicals Ltd
      Expertise in high impact aroma chemicals
      Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale.
      Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site.
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      TH0470 3-Mercapto-2-methylpentanol
       
  • M&U International
    • M&U International LLC
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      M&U dedicates itself to the development and production of new products as well as continuously promoting those new products. We’ve maintained a steady supply&demand relationship with a large number of manufacturers at home and abroad. We’ve developed an extensive network and because of our relationships with these manufacturers, we’re able to provide a stable supply of great quality materials. We’re located in China’s largest communications hub, Shanghai and in the U.S. near one of the largest sea ports on the East Coast. The strategic locations of our facilities ensure convenient, prompt and secure delivery of our products to our customers.
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      A0316 3-MERCAPTO-2-METHYL PENTA-1-OL, Kosher
       
  • Natural Advantage
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  • Tianjin Danjun International
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      Tianjin danjun international trade co., LTD. is an organic chemicals trading company approved by the relevant state authorities to register. We have about 300 kinds of products (natural aroma chemicals, synthetic aroma chemicals and pharmaceutical intermediates). Most of the products are used in flavor and fragrance industry. We know the Chinese chemical market well and we have close relationship with many of the main manufacturers, and to provide our customers with quality goods together with comprehensive service.
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      I-026 3-Mercapto-2-methylpenta-1-ol
       
  • R C Treatt & Co Ltd
    • R C Treatt and Co Ltd
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      3-Mercapto-2-methylpentanol Kosher
       
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      9077 3-Mercapto-2-methylpenta-1-ol
       
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      3-Mercapto-2-methylpenta-1-ol
       
Synonyms   Articles   Notes   Search
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, Edge 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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1291  3-mercapto-2-methylpentan-1-ol (racemic)
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
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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
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Organoleptic Properties:
 
Odor Type: sulfurous
 
 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).
 
 
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Cosmetic Information:
None found
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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
Endeavour Specialty Chemicals
3-Mercapto-2-methylpentanol
Speciality Chemical Product Groups
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
Robinson Brothers
3-Mercapto-2-methylpentanol
https://www.robinsonbrothers.uk/chemistry-competences
Tianjin Danjun International
3-Mercapto-2-methylpenta-1-ol
United International
3-Mercapto-2-methylpenta-1-ol
WholeChem
3-Mercapto-2-methylpenta-1-ol
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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
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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
Click here to view publication 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
Chewing gum (05.0): --
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): --
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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
AIDS Citations: Search
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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
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References:
Leffingwell: Chirality or Article
 2-methyl-3-sulfanylpentan-1-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6430888
Pubchem (sid): 10547578
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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
HMDB (The Human Metabolome Database): HMDB34878
FooDB: FDB013453
Export Tariff Code: 2930.90.9999
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 ferula assa-foetida gum oilFL/FR
 propyl mercaptanFL/FR
caramellic
 strawberry furanoneFL/FR
citrus
 grapefruit mercaptanFL/FR
coffee
 coffee difuranFL/FR
creamy
2,3-butane diolFR
ethereal
2-methyl-1-butanolFL/FR
meaty
 meaty dithianeFL/FR
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
 ferula assa-foetida absoluteFL/FR
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
3-(methyl thio) hexanolFL/FR
 onion oilFL/FR
 
For Flavor
 
No flavor group found for these
 allyl methyl disulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
isoamyl mercaptanFL
 diethyl trisulfideFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
 dipropyl sulfideFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
 heptyl mercaptanFL
4-mercapto-3-methyl-2-butanolFL
2-(methyl thio) methyl-2-butenalFL
 propenyl propyl disulfideFL
isopropyl disulfideFL
2,3,5-trithiahexaneFL
alliaceous
 allyl disulfideFL
 allyl mercaptanFL
 allyl thiopropionateFL
 benzyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dicyclohexyl disulfideFL
 diethyl disulfideFL
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 dipropyl trisulfideFL
 ferula assa-foetida gum oilFL/FR
3-mercapto-2-pentanoneFL
 methyl 3-mercaptobutanoateFL
2-methyl thioacetaldehydeFL
 propyl mercaptanFL/FR
cabbage
 methyl 2-thiofuroateFL
caramellic
 strawberry furanoneFL/FR
citrus
 grapefruit mercaptanFL/FR
coffee
 coffee difuranFL/FR
corn chip
2-acetyl-2-thiazolineFL
eggy
isopropyl mercaptanFL
ethereal
2-methyl-1-butanolFL/FR
garlic
 allyl methyl sulfideFL
 garlic oleoresinFL
meaty
 meaty dithianeFL/FR
3-mercapto-2-butanoneFL
(R,S)-2-mercapto-3-butanolFL
bis(2-methyl-3-furyl) disulfideFL
ortho-thiocresolFL
metallic
3-(methyl thio) hexanolFL/FR
musty
2-methyl 5-(methyl thio) furanFL/FR
onion
 methionolFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
 propyl thioacetateFL
oyster
 oyster flavorFL
roasted
 ethyl 3-(furfuryl thio) propionateFL
seafood
1,4-dithianeFL
sulfurous
 allyl sulfideFL
 butyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
S-ethyl thioacetateFL
 ferula assa-foetida absoluteFL/FR
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
3-mercapto-2-methyl pentanalFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl thiomethyl butyrateFL
 onion oilFL/FR
 onion oleoresinFL
vegetable
 methyl 3-(methyl thio) propionateFL/FR
 
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Potential Uses:
 garlicFL
 onionFL
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Occurrence (nature, food, other): note
 wine
Search  Picture
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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-
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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.
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