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

3-thiohexanol
3-mercaptohexanol

Sponsors

Name:3-sulfanylhexan-1-ol
CAS Number: 51755-83-0Picture of molecule3D/inchi
FDA UNII:U3TIX8Z92N
Nikkaji Web:J937.257A
MDL:MFCD00792515
XlogP3-AA:1.50 (est)
Molecular Weight:134.24178000
Formula:C6 H14 O S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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:545 3-mercaptohexanol
FLAVIS Number:12.217 (Old)
DG SANTE Food Flavourings:12.217 3-mercaptohexan-1-ol
FEMA Number:3850 3-mercaptohexanol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-MERCAPTOHEXANOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 198.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.039000 mm/Hg @ 25.00 °C. (est)
Flash Point: 210.00 °F. TCC ( 98.89 °C. )
logP (o/w): 1.644 (est)
Soluble in:
 alcohol
 heptane
 water, 3166 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 fruity fruit tropical fruit
Odor Description:at 0.10 % in dipropylene glycol. sulfurous fruity tropical
sulfurous fruity savory chicken meaty coffee roasted coffee fruity
Odor Description:at 0.10 %. Sulfurous, initially fruity then becoming savory and chicken meaty with a slight roasted coffee nuance and a hint of fruitiness on dry out
Mosciano, Gerard P&F 25, No. 4, 71, (2000)
Flavor Type: sulfurous
fruit tropical fruit passion fruit guava grapefruit sulfurous
Taste Description: tropical fruit passion fruit guava grape fruit sulphurous
sulfurous guava fruit tropical fruit fruity brothy savory eggy
Taste Description: at 0.05 - 10.00 ppm. Sulfurous, guava tropical fruity, with a hint of brothy savory and egg
Mosciano, Gerard P&F 25, No. 4, 71, (2000)
Odor and/or flavor descriptions from others (if found).
Treatt
3-Mercaptohexanol Halal, Kosher
Odor Description:sulfurous, tropical fruit; savory, egg, broth
Taste Description:tropical
Use: tropical fruits at 0.5-1ppm (passionfruit, guava, mango, pineapple, peach); and for roasted savoury notes in chicken, pork.
Frutarom
3-MERCAPTOHEXAN-1-OL
Odor Description:Fruity, Sulphurus, Tropical
Suggested Uses: Durian, Mango, Pineapple, Soft Fruits, Tropical Fruits
Symrise
Thiohexanole-3 5% TRI
Taste Description:passion fruit, tropical fruit, guava, sulfurous, grapefruit in dilution
Useful in: savory meat, fruity citrus, fruity yellow, fruity tropical.
 
Cosmetic Information:
None found
 
Suppliers:
Axxence Aromatic
3-MERCAPTOHEXANOL, Natural
Kosher
Sustainability
Beijing Lys Chemicals
3-Mercaptohexan-1-ol
BOC Sciences
For experimental / research use only.
3-mercapto-1-hexanol
Charkit Chemical
MERCAPTOHEXAN-1-OL, 3- FEMA 3850
DeLong Chemicals America
3-Mercaptohexanol, Kosher
Endeavour Specialty Chemicals
3-Mercapto-1-hexanol 96% F&F
Speciality Chemical Product Groups
Excellentia International
3-Mercapto Hexanol Natural
Frutarom
3-MERCAPTOHEXAN-1-OL
Odor: Fruity, Sulphurus, Tropical
Use: Suggested Uses: Durian, Mango, Pineapple, Soft Fruits, Tropical Fruits
Jinan Enlighten Chemical Technology(Wutong Aroma )
3-Mercapto-hexanol
Natural Advantage
3-Mercapto-1-Hexanol Nat, 1% in PG
Natural Advantage
3-Mercapto-1-Hexanol Nat, 1% in Triacetin
Penta International
3-MERCAPTO-1-HEXANOL NATURAL (NEAT), Kosher
Penta International
3-MERCAPTO-1-HEXANOL, Kosher
Penta International
3-MERCAPTOHEXANOL NATURAL 1% IN ETHANOL, Kosher
Riverside Aromatics
3-MERCAPTO-1-HEXANOL, NATURAL, 1% IN PG
Robinson Brothers
3-Mercapto-1-hexanol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Mercapto-1-hexanol
Symrise
Thiohexanole-3 5% TRI
Flavor: passion fruit, tropical fruit, guava, sulfurous, grapefruit in dilution
Useful in: savory meat, fruity citrus, fruity yellow, fruity tropical.
Taytonn
3-Mercaptohexan-1-ol
Odor: Sulphurous, Fruity, Tropical
TCI AMERICA
For experimental / research use only.
3-Mercapto-1-hexanol >98.0%(GC)
Treatt
3-Mercaptohexanol
Halal, Kosher
Odor: sulfurous, tropical fruit; savory, egg, broth
Flavor: tropical
Use: tropical fruits at 0.5-1ppm (passionfruit, guava, mango, pineapple, peach); and for roasted savoury notes in chicken, pork.
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing 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:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 3-thiohexanol usage levels up to:
  0.0500 % in the fragrance concentrate.
 
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: 0.050000.20000
beverages(nonalcoholic): 0.005000.05000
beverages(alcoholic): 0.010000.10000
breakfast cereal: --
cheese: --
chewing gum: 0.050000.30000
condiments / relishes: --
confectionery froastings: 0.010000.10000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.010000.10000
fruit ices: 0.010000.10000
gelatins / puddings: 0.010000.10000
granulated sugar: --
gravies: --
hard candy: 0.010000.10000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 0.010000.10000
nut products: --
other grains: --
poultry: --
processed fruits: 0.010000.10000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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 Substance Registry Services (TSCA):51755-83-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :521348
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-sulfanylhexan-1-ol
Chemidplus:0051755830
 
References:
Leffingwell:Chirality or Article
 3-sulfanylhexan-1-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):521348
Pubchem (sid):135232108
Flavornet:51755-83-0
 
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
HMDB (The Human Metabolome Database):HMDB40152
FooDB:FDB019850
YMDB (Yeast Metabolome Database):YMDB01417
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:3-Mercaptohexanol
 
Potential Blenders and core components note
For Odor
coffee
coffee difuran
FL/FR
floral
6,8-
dimethyl-2-nonanol
FR
fruity
tropical thiazole
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfurous
blackberry thiophenone
FL/FR
fish thiol
FL/FR
For Flavor
No flavor group found for these
iso
amyl 3-methyl thiopropionate
FL
benzyl methyl sulfide
FL
blackberry thiophenone
FL/FR
ethyl 2-methyl-2-(methyl thio) propionate
FL
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
allyl thiohexanoate
FL
3-
mercapto-3-methyl-1-butyl acetate
FL
alliaceous
alliaceous
tropical thiazole
FL/FR
citrus
3-
mercaptoheptyl acetate
FL
coffee
coffee difuran
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
eggy
iso
propyl mercaptan
FL
fatty
4-
methyl nonanoic acid
FL/FR
2,4-
octadien-1-ol
FL
fruity
3-
mercaptohexyl hexanoate
FL
methionyl butyrate
FL
malty
yeast thiazoline
FL
meaty
meaty dithiane
FL/FR
2-
methyl-3-tetrahydrofuran thiol
FL
onion
methionol
FL
sulfurous
S-
ethyl thioacetate
FL
fish thiol
FL/FR
methyl 2-methyl-3-furyl disulfide
FL
 
Potential Uses:
FLchicken
FLdurian
 fruit tropical fruit
FLguava
FLmango
FRpassion fruit
FLpeach
FLpineapple
FLpork
FLroasted
FLroasted
FLsavory
 
Occurrence (nature, food, other):note
 grapefruit juice
Search Trop Picture
 passion fruit
Search Trop Picture
 wine red wine
Search Picture
 
Synonyms:
 hexan-1-ol, 3-mercapto-
1-hexanol, 3-mercapto-
3-mercapto-1-hexanol
3-mercapto-1-hexanol natural (neat)
3-mercaptohexan-1-ol
3-mercaptohexanol
3-mercaptohexanol natural 1% in ethanol
3-mercaptohexyl alcohol
3-mercaptohexyl alcohol 0.1% in ETOH natural
3-mercaptohexyl alcohol natural
 passion fruit mercaptan
 passionfruit mercaptan
3-sulfanyl hexanol
3-sulfanylhexan-1-ol
3-thiohexan-1-ol
3-thiohexanol 5% in triacetin
3-thiohexanol natural
 thiohexanole-3 5% TRI
 

Articles:

Perfumer & Flavorist:Organoleptic Characteristics of Flavor Materials
PubMed:Pre-fermentation addition of grape tannin increases the varietal thiols content in wine.
Perfumer & Flavorist:Ingredient Profile: 3-Mercaptohexanol
PubMed:Development of a new stir bar sorptive extraction method for the determination of medium-level volatile thiols in wine.
PubMed:Direct accurate analysis of cysteinylated and glutathionylated precursors of 4-mercapto-4-methyl-2-pentanone and 3-mercaptohexan-1-ol in must by ultrahigh performance liquid chromatography coupled to mass spectrometry.
PubMed:Influence of volatile thiols in the development of blackcurrant aroma in red wine.
PubMed:Hydrolysis and formation of volatile esters in New Zealand Sauvignon blanc wine.
PubMed:A method to quantify quinone reaction rates with wine relevant nucleophiles: a key to the understanding of oxidative loss of varietal thiols.
PubMed:Evaluation of key odorants in sauvignon blanc wines using three different methodologies.
PubMed:The grape must non-Saccharomyces microbial community: impact on volatile thiol release.
PubMed:Influence of grape-harvesting steps on varietal thiol aromas in Sauvignon blanc wines.
PubMed:The yeast IRC7 gene encodes a β-lyase responsible for production of the varietal thiol 4-mercapto-4-methylpentan-2-one in wine.
PubMed:Evolution of 3-mercaptohexanol, hydrogen sulfide, and methyl mercaptan during bottle storage of Sauvignon blanc wines. Effect of glutathione, copper, oxygen exposure, and closure-derived oxygen.
PubMed:3-Sulfanylhexanol precursor biogenesis in grapevine cells: the stimulating effect of Botrytis cinerea.
PubMed:Elucidation of the 1,3-sulfanylalcohol oxidation mechanism: an unusual identification of the disulfide of 3-sulfanylhexanol in sauternes botrytized wines.
PubMed:Analysis, occurrence, and potential sensory significance of five polyfunctional mercaptans in white wines.
PubMed:Controlled orientation of DNA in a binary SAM as a key for the successful determination of DNA hybridization by means of electrochemical impedance spectroscopy.
PubMed:Melting temperature of surface-tethered DNA.
PubMed:A comparison of laboratory and pilot-scale fermentations in winemaking conditions.
PubMed:Understanding the role of thiol and disulfide self-assembled DNA receptor monolayers for biosensing applications.
PubMed:Selective preconcentration of volatile mercaptans in small SPE cartridges: quantitative determination of trace odor-active polyfunctional mercaptans in wine.
PubMed:Improved method to quantitatively determine powerful odorant volatile thiols in wine by headspace solid-phase microextraction after derivatization.
PubMed:Rapid glucose detection by surface enhanced Raman scattering spectroscopy.
PubMed:New insights on 3-mercaptohexanol (3MH) biogenesis in Sauvignon Blanc wines: Cys-3MH and (E)-hexen-2-al are not the major precursors.
PubMed:Nitrogen catabolite repression modulates the production of aromatic thiols characteristic of Sauvignon Blanc at the level of precursor transport.
PubMed:Nitrogen catabolic repression controls the release of volatile thiols by Saccharomyces cerevisiae during wine fermentation.
PubMed:Synthesis of the individual diastereomers of the cysteine conjugate of 3-mercaptohexanol (3-MH).
PubMed:Quantification of cysteine S-conjugate of 3-sulfanylhexan-1-ol in must and wine of petite arvine vine by stable isotope dilution analysis.
PubMed:The chemical characterization of the aroma of dessert and sparkling white wines (Pedro Ximénez, Fino, Sauternes, and Cava) by gas chromatography-olfactometry and chemical quantitative analysis.
PubMed:Improved solid-phase extraction procedure for the isolation and in-sorbent pentafluorobenzyl alkylation of polyfunctional mercaptans. Optimized procedure and analytical applications.
PubMed:Quantitative determination of wine polyfunctional mercaptans at nanogram per liter level by gas chromatography-negative ion mass spectrometric analysis of their pentafluorobenzyl derivatives.
PubMed:Modulation of volatile sulfur compounds by wine yeast.
PubMed:Optimization of a procedure for the selective isolation of some powerful aroma thiols. Development and validation of a quantitative method for their determination in wine.
PubMed:Occurrence of polyfunctional thiols in fresh lager beers.
PubMed:Identification of single-strand DNA by in situ scanning tunneling microscopy.
PubMed:Automated analysis of 2-methyl-3-furanthiol and 3-mercaptohexyl acetate at ng L(-1) level by headspace solid-phase microextracion with on-fibre derivatisation and gas chromatography-negative chemical ionization mass spectrometric determination.
PubMed:Effect of screwcap and cork closures on SO2 levels and aromas in a Sauvignon Blanc wine.
PubMed:Real-time glucose sensing by surface-enhanced Raman spectroscopy in bovine plasma facilitated by a mixed decanethiol/mercaptohexanol partition layer.
PubMed:Oriented immobilization of antibodies by a self-assembled monolayer of 2-(biotinamido)ethanethiol for immunoarray preparation.
PubMed:Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium quality spanish aged red wines.
PubMed:Stereochemical course of the generation of 3-mercaptohexanal and 3-mercaptohexanol by beta-lyase-catalyzed cleavage of cysteine conjugates.
PubMed:Stereoselectivity of the generation of 3-mercaptohexanal and 3-mercaptohexanol by lipase-catalyzed hydrolysis of 3-acetylthioesters.
PubMed:Combinatorial synthesis and sensorial properties of mercapto primary alcohols and analogues.
PubMed:Impact odorants of different young white wines from the Canary Islands.
PubMed:Chemical characterization of the aroma of Grenache rosé wines: aroma extract dilution analysis, quantitative determination, and sensory reconstitution studies.
PubMed:Metal substitutions incarbonic anhydrase: a halide ion probe study.
 
Notes:
Used as a food additive [EAFUS]
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