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1-octen-3-ol
General Material Information
| Preferred name | 1-octen-3-ol |
| Trivial Name | 1-Octen-3-ol |
| Short Description | matsutake alcohol |
| Formula | C8 H16 O |
| CAS Number | 3391-86-4 |
| FEMA Number | 2805 |
| Flavis Number | 2.023 |
| ECHA Number | 222-226-0 |
| FDA UNII | WXB511GE38 |
| Nikkaji Number | J34.615B |
| Beilstein Number | 1744110 |
| MDL | MFCD00004589 |
| COE Number | 72 |
| xLogP3-AA | 2.60 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1152 1-octen-3-ol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 3391-86-4 ; 1-OCTEN-3-OL |
| 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
| Leffingwell: | Chirality or Article |
| oct-1-en-3-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3391-86-4 |
| Pubchem (cid): | 18827 |
| Pubchem (sid): | 134983138 |
| Flavornet: | 3391-86-4 |
| 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): | C14272 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB003349 |
| YMDB (Yeast Metabolome Database): | YMDB01352 |
| Export Tariff Code: | 2905.29.9000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 128.21472167969 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.948 to 7.031 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 6.923 to 6.989 |
| Refractive Index | 1.431 to 1.442 @ 20 °C |
| Boiling Point | 84 to 85°C @ 25 mm Hg |
| Boiling Point | 175 to 175.2°C @ 760 mm Hg |
| Vapor Pressure | 0.531 mmHg @ 25 °C |
| Vapor Density | 4.4 |
| Flash Point TCC Value | 61.11 °C TCC |
| logP (o/w) | 2.519 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| oils | Yes |
| propylene glycol | Yes |
| water, 1836 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic fine fragrance | Good |
| antiperspirant | Good |
| fabric softener | Good |
| soap | Good |
| toiletry application | Good |
| liquid detergent | Fair |
| perborate powder detergent | Fair |
| hypochlorite bleach | Poor |
Organoleptic Properties
| Odor Type: Earthy | |
| mushroom, earthy, green, oily, fungal, raw, chicken, vegetable | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | > 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1986) | At 10.00 % in dipropylene glycol. mushroom earthy green oily fungal raw chicken |
| Mosciano, Gerard P&F 18, No. 6, 33, (1993) | Earthy, green, oily, vegetative and fungal |
| Flavor Type: Mushroom | |
| mushroom, earthy, fungal, green, oily, vegetable, umami, savory, brothy | |
| Mosciano, Gerard P&F 18, No. 6, 33, (1993) | At 10.00 ppm. Mushroom, earthy, fungal, green, oily, vegetative, umami sensation and savory brothy |
| Savory flavors, especially mushroom. | Characteristic mushroom, with metallic aftertaste |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acorn, Aldehydic, Alpine bouquet, Ash mountain ash, Avocado, Banana, Bergamot, Botanical, Carrot seed, Cedar forest, Chypre, Cognac, Costus, Cucumber, Dill weed, Earth, Fern, Fir balsam, Flouve blossom, Foliage, Forest, Fruit, Fungus, Genet, Green, Hay new mown hay, Herbal, Honeysuckle, Hop, Hyacinth, Iris blossom, Kewda, Lavandin, Lavender, Licorice, Lily, Lily of the valley, Malt, Moss, Ocean sea, Fresh outdoors, Patchouli, Peppermint, Pumpkin pie, Reseda, Seaweed absolute replacer, Spearmint, Spice, Strawberry, Sweet grass, Yew |
| Flavoring purposes | Asparagus, Carrot seed, Cheese, Dill weed, Fermented, Fish, Lobster, Milk, Potato, Prawn, Rutabaga, Savory, Shellfish, Tomato, Vegetable, Yeast |
| Other purposes | Liverwort, Timber, Trassi, Truffle, Watercress nasturtium |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. 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 37/39 - Wear suitable gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 4), H227 Acute toxicity, Oral (Category 4), H302 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Chronic aquatic toxicity (Category 3), H412 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid H302 - Harmful if swallowed H315 - Causes skin irritation H319 - Causes serious eye irritation H412 - Harmful to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P330 - Rinse mouth. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P235 - Store in a well-ventilated place. Keep cool. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 10 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 340 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 681, 1976. intravenous-mouse LD50 56 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02545 | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3300 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 681, 1976. | |
| 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 1-octen-3-ol usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 390.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 23.00 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: | - | 6.00000 | |
| beverages(nonalcoholic): | - | 0.20000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 6.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 6.00000 | |
| hard candy: | - | 2.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 6.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 6.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.63000 | 1.80000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.50000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 1.00000 | 2.00000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 12.00000 | 18.00000 | |
| Confectionery (05.0): | 1.10000 | 1.80000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.60000 | 1.80000 | |
| Bakery wares (07.0): | 3.80000 | 11.00000 | |
| Meat and meat products, including poultry and game (08.0): | 3.70000 | 5.70000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 1.00000 | 5.00000 | |
| Eggs and egg products (10.0): | 1.00000 | 5.00000 | |
| Sweeteners, including honey (11.0): | 1.00000 | 5.00000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 5.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 1.00000 | 2.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.60000 | 1.20000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.30000 | 1.00000 | |
| Ready-to-eat savouries (15.0): | 0.40000 | 0.70000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 2.00000 | 10.00000 | |
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): |
| Scientific Opinion on Flavouring Group Evaluation 205 (FGE.205): Consideration of genotoxicity data on representatives for 13 a,ß-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19 by EFSA View page or View pdf |
| Scientific opinion of Flavouring Group Evaluation 205 Revision 1 (FGE.205Rev1): consideration of genotoxicity data on representatives for 13 a,ß-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 View page or View pdf |
| Safety and efficacy of oct-1-en-3-ol, pent-1-en-3-ol, oct-1-en-3-one, oct-1-en-3-yl acetate, isopulegol and 5-methylhept-2-en-4-one, belonging to chemical group 5 and of isopulegone and a-damascone belonging to chemical group 8 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):3391-86-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :18827 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2810 |
| WGK Germany:3 |
| oct-1-en-3-ol |
| Chemidplus:0003391864 |
| RTECS:RH3300000 for cas# 3391-86-4 |