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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 |