| Preferred name | 1-heptanol |
| Trivial Name | 1-Heptanol |
| Short Description | heptyl alcohol |
| Formula | C7 H10 O |
| CAS Number | 111-70-6 |
| FEMA Number | 2548 |
| Flavis Number | 2.021 |
| ECHA Number | 203-897-9 |
| FDA UNII | 8JQ5607IO5 |
| Nikkaji Number | J2.457K |
| Beilstein Number | 1731686 |
| MDL | MFCD00002986 |
| COE Number | 70 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 94 heptyl alcohol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 111-70-6 ; HEPTYL ALCOHOL |
| Synonyms |
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| 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 |
| heptan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 111-70-6 |
| Pubchem (cid): | 8129 |
| Pubchem (sid): | 134975189 |
| Flavornet: | 111-70-6 |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31479 |
| FooDB: | FDB008053 |
| YMDB (Yeast Metabolome Database): | YMDB01475 |
| Export Tariff Code: | 2905.19.9090 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •c7 alcohol isomeric mixtures •c7-c9-c11 alcohol isomeric mixtures •c7-c8-c9 alcohol isomeric mixtures | |
| Material listed in food chemical codex | Yes |
| Molecular weight | 110.15589904785 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.823 to 6.848 |
| Refractive Index | 1.422 to 1.426 @ 20 °C |
| Melting Point | -36 to -34°C @ 760 mm Hg |
| Boiling Point | 175 to 176°C @ 760 mm Hg |
| Boiling Point | 104 to 105°C @ 50 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.325 mmHg @ 25 °C |
| Flash Point TCC Value | 73.89 °C TCC |
| logP (o/w) | 2.62 |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| water, 1940 mg/L @ 25 °C (est) | Yes |
| water, 1670 mg/L @ 25 °C (exp) | Yes |
| water | No |
| Odor Type: Green | |
| musty, leafy, violet, herbal, green, sweet, woody, peony, pungent, vegetable, fruity, apple, banana | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 12 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 10.00 % in dipropylene glycol. musty leafy violet herbal green sweet woody peony |
| Mosciano, Gerard P&F 26, No. 3, 80, (2001) | At 1.00 %. Musty, pungent, leafy green, with vegetative and fruity nuances of apple and banana |
| Flavor Type: Solvent | |
| solvent, fermented, oily, nutty, fatty, green, aldehydic | |
| Mosciano, Gerard P&F 26, No. 3, 80, (2001) | At 1.00 - 10.00 ppm. Solvent-like, fermented with oily nutty and fatty notes, and a slight green aldehydic under note |
| (data available) |
| Applications | |
| Odor purposes | Amber , Apple , Apricot , Balsam , Banana , Butter , Carnation , Citrus , Clove , Coconut , Cucumber , Green , Jasmin , Melon , Oriental , Spice , Woody |
| Flavoring purposes | Beer , Bread white bread , Carrot , Fish |
| Cosmetic purposes | Perfuming agents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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 500 mg/kg LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 35, Pg. 501, 1974. oral-rabbit LD50 750 mg/kg Hygiene and Sanitation Vol. 31(1-3), Pg. 310, 1966. oral-mouse LD50 1500 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 31, Pg. 16, 1966. unreported-mammal (species unspecified) LD50 4350 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 2000 mg/kg LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 35, Pg. 501, 1974. | |
| Inhalation Toxicity: | |
| inhalation-mouse LC50 6600 mg/m3/2H "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 72, 1982. inhalation-mammal (species unspecified) LC50 6600 mg/m3 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
| 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-heptanol usage levels up to: | |||
| 3.0000 % 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: | - | 3.00000 | |
| beverages(nonalcoholic): | - | 0.90000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 5.00000 | |
| fruit ices: | 1.00000 | 5.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 3.00000 | |
| 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 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 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 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 Substance Registry Services (TSCA):111-70-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8129 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| heptan-1-ol |
| Chemidplus:0000111706 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:111-70-6 |