| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 111-27-3 |
| ECHA EC Number: | 203-852-3 |
| FDA UNII: | 6CP2QER8GS |
| CoE Number: | 53 |
| Category: | cosmetic, flavor and fragrance agents |
| IUPAC Name: | hexanol |
| InChI : | InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| Std.InChI: | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| InChIKey : | ZSIAUFGUXNUGDI-UHFFFAOYAO |
| Std.InChIKey: | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| SMILES : | CCCCCCO |
| MDL: | MFCD00002982 |
| Molar Refractivity : | 31.38 ± 0.3 cm3 (est) |
| Parachor : | 287.5 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.415 ± 0.02 (est) |
| Surface Tension : | 27.9 ± 3.0 dyne/cm (est) |
| Density : | 0.816 ± 0.06 g/cm3 (est) |
| Polarizability : | 12.44 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| 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: | 91 hexyl alcohol |
| DG SANTE Food Flavourings: | 02.005 hexan-1-ol |
| FEMA Number: | 2567 hexyl alcohol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 111-27-3 ; HEXYL ALCOHOL |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart I--Multipurpose Additives Sec. 172.864 Synthetic fatty alcohols. | |
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | Yes |
| Melting Point: | -52.00 to -51.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 156.00 to 157.00 °C. @ 760.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 0.947000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.5 ( Air = 1 ) |
| Flash Point: | 140.00 °F. TCC ( 60.00 °C. ) |
| logP (o/w): | 2.030 |
| Soluble in: | |
| alcohol | |
| water, 6885 mg/L @ 25 °C (est) | |
| water, 5900 mg/L @ 25 °C (exp) | |
| 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 CHANGESKIDNEY, 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. | |
| 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: | - | - | |
| 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 |
| 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 |
| (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 | |
| achillea tenuifolia lam. flower oil iran @ 0.10% Data GC Search Trop Picture | |
| allspice plant Search Trop Picture | |
| apple juice Search PMC Picture | |
| apple plant Search Trop Picture | |
| asparagus Search Trop Picture | |
| basil flower oil sweet @ trace% Data GC Search Trop Picture | |
| basil leaf oil sweet (ocimum basilicum) @ trace% Data GC Search Trop Picture | |
| bay laurel leaf Search Trop Picture | |
| bilberry fruit juice Search Trop Picture | |
| cananga leaf oil @ 10.2% Data GC Search Trop Picture | |
| cassia leaf Search Trop Picture | |
| cayenne fruit Search Trop Picture | |
| celery leaf Search Trop Picture | |
| celery oil Search Trop Picture | |
| celery shoot Search Trop Picture | |
| champaca concrete @ 0.02% Data GC Search Trop Picture | |
| cherimoya plant Search Trop Picture | |
| cider Search PMC Picture | |
| cinnamon ceylon cinnamon leaf oil Search Trop Picture | |
| cinnamon ceylon cinnamon plant Search Trop Picture | |
| cinnamon ceylon cinnamon root bark Search Trop Picture | |
| cinnamon ceylon cinnamon stem bark Search Trop Picture | |
| citronella java Search Trop Picture | |
| clary sage oil greece @ 0.10% Data GC Search Trop Picture | |
| cognac Search PMC Picture | |
| corn husk oil Search Trop Picture | |
| corn leaf Search Trop Picture | |
| corn seed oil Search Trop Picture | |
| corn silk Search Trop Picture | |
| corn silk oil Search Trop Picture | |
| cucumis melo Search Trop Picture | |
| currant black currant fruit Search Trop Picture | |
| elder black elder flower oil Search Trop Picture | |
| elder black elder leaf oil Search Trop Picture | |
| eschweilera coriacea (a. p. dc.) mori flower oil brazil @ 4.30% Data GC Search Trop Picture | |
| garlic bulb Search Trop Picture | |
| geranium Search Trop Picture | |
| ginger rhizome Search Trop Picture | |
| ginger rhizome oil Search Trop Picture | |
| grape muscat grape Search PMC Picture | |
| guava fruit headspace reunion @ 0.50% Data GC Search Trop Picture | |
| guava fruit oil reunion @ 0.30% Data GC Search Trop Picture | |
| heracleum paphlagonicum czeczott fruit oil turkey @ <0.10% Data GC Search Trop Picture | |
| hyacinthus orientalis absolute @ 0.03-0.04% Data GC Search Trop Picture | |
| hyptis suaveolens (l.) poit. oil mali @ trace-0.10% Data GC Search Trop Picture | |
| hyssop flower Search Trop Picture | |
| hyssop leaf Search Trop Picture | |
| laurel leaf oil turkey @ <0.10% Data GC Search Trop Picture | |
| lavandin oil abrialis @ 0.05% Data GC Search Trop Picture | |
| lavandin oil grosso @ 0.02% Data GC Search Trop Picture | |
| lavandin water (lavandula hydrida) @ 0.10% Data GC Search Trop Picture | |
| lavender Search Trop Picture | |
| lavender oil spike france @ 0.01% Data GC Search Trop Picture | |
| lavender spike lavender Search Trop Picture | |
| lavender spike water @ 0.03% Data GC Search Trop Picture | |
| lavender water bulgaria @ 0.07% Data GC Search Trop Picture | |
| lemon oil Search Trop Picture | |
| lovage root Search Trop Picture | |
| malpighia glabra l. fruit oil @ 0.30% Data GC Search Trop Picture | |
| malus sieversii PbMd Search Trop Picture | |
| mandarin oil @ 0.02% Data GC Search Trop Picture | |
| mandarin oil italy @ 0.02% Data GC Search Trop Picture | |
| mentha longifolia (l.) huds. oil jordan @ trace% Data GC Search Trop Picture | |
| mushroom giant puffball mushroom Search PMC Picture | |
| narcissus absolute @ 0.19% Data GC Search Trop Picture | |
| orange Search Trop Picture |
| alcohol C 6 natural | |
| alcohol C-6 | |
| alcohol C-6 (n-hexanol), natural | |
| alcohol C-6 (natural) | |
| alcohol C-6 FCC | |
| alcohol C-6 natural | |
| alcohol C6 | |
| alcohol C6 natural | |
| amyl carbinol | |
| caproic alcohol | |
| caproyl alcohol | |
| EPAL 6 | |
| hexan-1-ol | |
| N- | hexan-1-ol |
| hexanol | |
| 1- | hexanol |
| N- | hexanol |
| nat. | hexanol |
| hexanol (hexyl alcohol) natural | |
| hexanol nat | |
| hexyl alcohol | |
| 1- | hexyl alcohol |
| N- | hexyl alcohol |
| hexyl alcohol natural | |
| N- | hexyl alcohol natural |
| hexyl alcohol, natural | |
| hexylalcohol | |
| 1- | hydroxyhexane |
