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Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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 mmHg @ 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 |
| |
| | 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). |
| |
| R C Treatt & Co Ltd |
| 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. |
| |
| Symrise |
| Thiohexanole-3 5% TRI |
| Taste Description: | Sulfurous, Tropical Fruits, Onion, Black Currant Useful in: savory meat, fruity citrus, fruity yellow, fruity tropical. |
| |
| |
Cosmetic Information:
Suppliers:
| Advanced Biotech |
| PASSION FRUIT MERCAPTAN 1% ETOH NATURAL
|
| Advanced Biotech |
| PASSION FRUIT MERCAPTAN 1% PG NATURAL
|
| Augustus Oils |
| 3 Mercapto 1 Hexanol
|
| Services |
| Augustus Oils |
| 3 Thiohexanol 5% In Triacetin
|
| 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
KOSHER Flavor: Sulfurous, Fruity, Tropical |
| CBD Offering |
| IFF |
| 3-MERCAPTOHEXAN-1-OL
KOSHER Flavor: Sulfurous, Fruity, Tropical |
| Jinan Enlighten Chemical Technology(Wutong Aroma ) |
| 3-Mercapto-hexanol
|
| Lluch Essence |
| 3-MERCAPTOHEXANOL NATURAL
|
| Natural Advantage |
| Mercapto-1-Hexanol , 3- Nat, 1% in PG
Flavor: chicken, coffee, roasted, fruity, meaty, roasted, savory, sulphurous, tropical |
| Riverside Aromatics LTD.is the exclusive distributor for Europe in UK for any non-US based inquiries |
| Natural Advantage |
| Mercapto-1-Hexanol, 3- Nat, 1% in Triacetin Nat USOC
Flavor: chicken, coffee, roasted, fruity, meaty, roasted, savory, sulphurous, tropical |
| Natural Advantage |
| Mercapto-1-Hexanol, 3- Nat, 1% in Triacetin
Flavor: chicken, coffee, roasted, fruity, meaty, roasted, savory, sulphurous, tropical |
| Penta International |
| 3-MERCAPTO-1-HEXANOL NATURAL (NEAT)
|
| Penta International |
| 3-MERCAPTO-1-HEXANOL
|
| Penta International |
| 3-MERCAPTOHEXANOL NATURAL 1% IN ETHANOL
|
| R C Treatt & Co Ltd |
| 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. |
| 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: Sulfurous, Tropical Fruits, Onion, Black Currant Useful in: savory meat, fruity citrus, fruity yellow, fruity tropical. |
| Taytonn ASCC |
| 3-Mercaptohexan-1-ol
Odor: Sulphurous, Fruity, Tropical |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Mercapto-1-hexanol >98.0%(GC)
|
| Tianjin Danjun International |
| 3-Mercaptohexan-1-ol
|
| United International |
| 3-Mercapto-1-hexanol
|
| WholeChem |
| 3-Mercaptohexan-1-ol
|
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 |
| RIFM Fragrance Material Safety Assessment: Search |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
| 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 |
| Click here to view publication 18 |
| | average usual ppm | average maximum ppm |
| baked goods: | 0.05000 | 0.20000 |
| beverages(nonalcoholic): | 0.00500 | 0.05000 |
| beverages(alcoholic): | 0.01000 | 0.10000 |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | 0.05000 | 0.30000 |
| condiments / relishes: | - | - |
| confectionery froastings: | 0.01000 | 0.10000 |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | 0.01000 | 0.10000 |
| fruit ices: | 0.01000 | 0.10000 |
| gelatins / puddings: | 0.01000 | 0.10000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | 0.01000 | 0.10000 |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | - | - |
| milk products: | 0.01000 | 0.10000 |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | 0.01000 | 0.10000 |
| 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 |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| 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:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
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. |
|