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2-heptanol
General Material Information
| Preferred name | 2-heptanol |
| Trivial Name | 2-Heptanol |
| Short Description | amyl methyl carbinol |
| Formula | C7 H16 O |
| CAS Number | 543-49-7 |
| Deleted CAS Number | 52390-72-4 |
| FEMA Number | 3288 |
| Flavis Number | 2.045 |
| ECHA Number | 208-844-3 |
| FDA UNII | E12FIG07JK |
| Nikkaji Number | J6.402E |
| Beilstein Number | 1719088 |
| MDL | MFCD00004587 |
| COE Number | 554 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 284 2-heptanol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 543-49-7 ; 2-HEPTANOL |
| 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 |
| heptan-2-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 543-49-7 |
| Pubchem (cid): | 10976 |
| Pubchem (sid): | 134976517 |
| Flavornet: | 543-49-7 |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB012157 |
| YMDB (Yeast Metabolome Database): | YMDB01343 |
| Export Tariff Code: | 2905.19.9090 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 116.20372009277 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.773 to 6.857 |
| Refractive Index | 1.414 to 1.424 @ 20 °C |
| Boiling Point | 160 to 162°C @ 760 mm Hg |
| Vapor Pressure | 0.886 mmHg @ 25 °C |
| Flash Point TCC Value | 64.44 °C TCC |
| logP (o/w) | 2.31 |
| Solubility | |
| alcohol | Yes |
| ether | Yes |
| water, 3569 mg/L @ 25 °C (est) | Yes |
| water, 3270 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Citrus | |
| fresh, lemongrass, herbal, sweet, floral, fruity, green | |
| General comment | At 100.00 %. fresh lemon grass herbal sweet floral fruity green |
| Flavor Type: Fruity | |
| fruity, green, earthy, bitter | |
| General comment | Fruity green earthy bitter |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Earth , Fruit , Green , Herbal , Lemon |
| Other purposes | Grass |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 21 - Harmful in contact with skin. 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. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 [sex: M,F] 2580 mg/kg (Eder et al., 1982a) oral-rat LD50 2580 mg/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 1780 ul/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| 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 2-heptanol usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 6.80 (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: 5 | |||
| Click here to view publication 5 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 15.00000 | |
| beverages(nonalcoholic): | - | 0.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 10.00000 | |
| condiments / relishes: | - | 80.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.50000 | |
| fruit ices: | - | 0.50000 | |
| gelatins / puddings: | - | 5.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.00000 | |
| 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: | - | 12.00000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (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 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):543-49-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :10976 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1987 |
| WGK Germany:3 |
| heptan-2-ol |
| Chemidplus:0000543497 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:543-49-7 |