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ethyl heptanoate
General Material Information
| Preferred name | ethyl heptanoate |
| Trivial Name | Ethyl heptanoate |
| Short Description | ethyl capronate |
| Formula | C9 H18 O2 |
| CAS Number | 106-30-9 |
| FEMA Number | 2437 |
| Flavis Number | 9.093 |
| FDA UNII | 45R404Y5X8 |
| Nikkaji Number | J2.856H |
| Beilstein Number | 1752311 |
| MDL | MFCD00009538 |
| COE Number | 365 |
| xLogP3-AA | 2.90 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 32 ethyl heptanoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 106-30-9 ; ETHYL HEPTANOATE |
| 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
| ethyl heptanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 106-30-9 |
| Pubchem (cid): | 7797 |
| Pubchem (sid): | 134971631 |
| Flavornet: | 106-30-9 |
| 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 |
| Metabolomics Database: | Search |
| HMDB (The Human Metabolome Database): | HMDB00798 |
| FooDB: | FDB008200 |
| YMDB (Yeast Metabolome Database): | YMDB01474 |
| Export Tariff Code: | 2915.90.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 158.24085998535 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.214 to 7.256 |
| Refractive Index | 1.411 to 1.415 @ 20 °C |
| Boiling Point | 188 to 189°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.68 mmHg @ 25 °C |
| Vapor Density | 5.4 |
| Flash Point TCC Value | 66.11 °C TCC |
| logP (o/w) | 3.333 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| fixed oils | Yes |
| paraffin oil | Yes |
| water, 290 mg/L @ 25 °C (exp) | Yes |
| water | No |
| glycerin | No |
| Stability | |
| bath foam | Unspecified |
| cream | Unspecified |
| hair spray | Unspecified |
| lipstick | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, pineapple, cognac, rummy, winey, sweet, estery, banana, berry, green, seedy | |
| Odor strength | medium |
| Substantivity | 56 hour(s) at 100.00 % |
| Luebke, William tgsc, (1983) | At 100.00 %. fruity pineapple cognac rum wine |
| Mosciano, Gerard P&F 22, No. 2, 69, (1997) | Fruity, pineapple, sweet, estry, banana, berry, cognac and slightly green with a seedy nuance |
| Flavor Type: Fruity | |
| fruity, pineapple, banana, strawberry, spicy, oily | |
| Mosciano, Gerard P&F 22, No. 2, 69, (1997) | At 20.00 ppm. Fruity, pineapple, banana and strawberry with a spicy, oily nuance |
| Useful in: brown nuts, brown others, dairy, fruity red, fruity yellow, fruity tropical, fruity others, sweet others, alcoholics. | Sweet, fruity, rum, apple peel |
| General comment | Fruity cognac |
Occurrences
| (data available) |
Potential Uses
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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) | |
| Flammable liquids (Category 4), H227 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280 - Wear protective gloves/protective clothing/eye protection/face protection. 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: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 34640 mg/kg SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 19, Pg. 247, 1981. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for ethyl heptanoate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| 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: | - | 24.00000 | |
| beverages(nonalcoholic): | - | 6.80000 | |
| beverages(alcoholic): | 8.50000 | 20.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 340.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 7.50000 | |
| fruit ices: | - | 7.50000 | |
| gelatins / puddings: | 0.06000 | 350.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 17.00000 | |
| 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): |
| Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 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 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 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 |
| Chemical Carcinogenesis Research Information System:Search |
| EPA Substance Registry Services (TSCA):106-30-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7797 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| ethyl heptanoate |
| Chemidplus:0000106309 |
| RTECS:MJ2087000 for cas# 106-30-9 |