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hexanol
General Material Information
| Preferred name | hexanol |
| Trivial Name | 1-Hexanol |
| Short Description | hexyl alcohol |
| Formula | C6 H14 O |
| CAS Number | 111-27-3 |
| Deleted CAS Number | 220713-27-9 |
| FEMA Number | 2567 |
| Flavis Number | 2.005 |
| ECHA Number | 203-852-3 |
| FDA UNII | 6CP2QER8GS |
| Nikkaji Number | J1.987I |
| Beilstein Number | 0969167 |
| MDL | MFCD00002982 |
| COE Number | 53 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 91 hexyl alcohol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 111-27-3 ; HEXYL ALCOHOL |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| hexan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 111-27-3 |
| Pubchem (cid): | 8103 |
| Pubchem (sid): | 134975013 |
| Flavornet: | 111-27-3 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C00854 |
| HMDB (The Human Metabolome Database): | HMDB12971 |
| FooDB: | FDB008072 |
| YMDB (Yeast Metabolome Database): | YMDB01473 |
| Export Tariff Code: | 2905.19.9090 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •grades: technical (90-99%); purified (99.8%). •blend of hexanol, 4%; octanol, 42%; decanol, 54% •epal 610: c6 alcohol, 17 wt%; c8 alcohol, 36 wt%; c10 alcohol, 47 wt% from table •epal 810: c6 alcohol, 1 wt%; c8 alcohol, 45 wt%; c10 alcohol, 54 wt% from table •essoenjay offers an isomeric mixture under the name hexanol that consists of 44 % 1-hexanol, 53 % 2-methylpentanol, and 3 % 2-ethylbutanol. •the commercial product of isohexyl alcohol typically consists of three isomers with the following composition: 44% 1-hexanol, 53% methylpentanols, and 3% 2-ethylbutanol. isohexyl alcohol | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 102.17678070068 |
| Melting Point | -52 to -51°C @ 760 mm Hg |
| Boiling Point | 156 to 157°C @ 760 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 0.947 mmHg @ 25 °C |
| Vapor Density | 4.5 |
| Flash Point TCC Value | 60 °C TCC |
| logP (o/w) | 2.03 |
| Solubility | |
| alcohol | Yes |
| water, 6885 mg/L @ 25 °C (est) | Yes |
| water, 5900 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Herbal | |
| ethereal, fusel, oily, fruity, alcoholic, sweet, green, pungent | |
| General comment | At 10.00 % in dipropylene glycol. ethereal fusel oil fruity alcoholic sweet green |
| Mosciano, Gerard P&F 18, No. 2, 38, (1993) | Pungent, etherial, fusel oil, fruity and alcoholic, sweet with a green top note |
| Flavor Type: Green | |
| green, fruity, apple skin, oily | |
| Mosciano, Gerard P&F 18, No. 2, 38, (1993) | At 20.00 ppm. Green, fruity, apple-skin and oily |
| Useful in: savory vegetable, savory spices, fruity red, fruity yellow, fruity tropical, fruity others, sweet others, alcoholics. | Green, sweet, leaf-, apple-like |
| General comment | Green fruity apple skin oily |
| HEXANOL gives a delicate fatty-fruity, woody and fermented profile to fruit, vegetable and alcoholic flavors. | Nice green, fruity and winey notes |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Bay rum, Boronia, Cognac, Cucumber, Dillenia, Guava, Jonquil, Lavandin, Lavender, Lavender flower, Lavender spike lavender, Mandarin, Mandarin clementine mandarin, Orris, Pansy, Petitgrain mandarin oil replacer, Petunia, Rum, Sherry, Strawberry, Tangelo, Tangerine, Violet, Violet leaf, Wallflower, Yew |
| Flavoring purposes | Cognac, Cucumber, Guava, Lavender flower, Lavender spike lavender, Mandarin, Petitgrain mandarin oil replacer, Rum, Rum raisin, Rum spice, Saki, Starfruit, Strawberry, Strawberry wild strawberry, Tangelo, Tangerine, Tequila, Violet, Whiskey, Whiskey bourbon whiskey, Whiskey sour, Wine burgundy wine, Wine chablis wine, Wine marsala wine, Wine port wine, Wine sangria wine, Wine sauterne wine, Wine sherry wine |
| Other purposes | Strawberry jam |
| Cosmetic purposes | Antifoaming agents, Perfuming agents, Solvents, Surfactants, Surfactant - hydrotrope |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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. | |
| Human Experience: | |
| 1 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 720 mg/kg BLOOD: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES LIVER: FATTY LIVER DEGERATION South African Medical Journal. Vol. 43, Pg. 795, 1969. oral-mouse LD50 1950 mg/kg Hygiene and Sanitation Vol. 31(1-3), Pg. 310, 1966. intravenous-mouse LD50 103 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. unreported-mammal (species unspecified) LD50 2442 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3100 ul/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| Inhalation Toxicity: | |
| inhalation-rat LC > 1060 ppm/6H Food and Cosmetics Toxicology. Vol. 13, Pg. 695, 1975. inhalation-guinea pig LC > 1060 ppm/6H Food and Cosmetics Toxicology. Vol. 13, Pg. 695, 1975. inhalation-mouse LC > 1060 ppm/6H Food and Cosmetics Toxicology. Vol. 13, Pg. 695, 1975. | |
Safety in use information
| Category: | |||
| cosmetic, 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 hexanol usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 18.00000 | |
| beverages(nonalcoholic): | - | 6.60000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 26.00000 | |
| fruit ices: | - | 26.00000 | |
| gelatins / puddings: | 0.22000 | 0.28000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 21.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):111-27-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8103 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2282 |
| WGK Germany:1 |
| hexan-1-ol |
| Chemidplus:0000111273 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:111-27-3 |