| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 1576-77-8 |
| ECHA EC Number: | 216-411-5 |
| FDA UNII: | R6VN5HBW4C |
| CoE Number: | 10909 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | (E)-3-hepten-1-yl acetate |
| InChI : | InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+ |
| Std.InChI: | InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+ |
| InChIKey : | AAYIYWGTGAUKQY-AATRIKPKBS |
| Std.InChIKey: | AAYIYWGTGAUKQY-AATRIKPKSA-N |
| SMILES : | O=C(OCC/C=C/CCC)C |
| Molar Refractivity : | 45.57 ± 0.3 cm3 (est) |
| Parachor : | 402.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.436 ± 0.02 (est) |
| Surface Tension : | 28.4 ± 3.0 dyne/cm (est) |
| Density : | 0.896 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.06 ± 0.5 10-24cm3 (est) |
| 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: | 135 trans-3-heptenyl acetate |
| DG SANTE Food Flavourings: | 09.275 hept-3(trans)-enyl acetate |
| FEMA Number: | 3493 trans-3-heptenyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1576-77-8 ; TRANS-3-HEPTENYL ACETATE |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88500 to 0.88700 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.373 to 7.389 |
| Refractive Index: | 1.42900 to 1.43200 @ 20.00 °C. |
| Boiling Point: | 55.00 to 57.00 °C. @ 3.00 mm Hg |
| Vapor Pressure: | 0.404000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 164.00 °F. TCC ( 73.33 °C. ) |
| logP (o/w): | 2.947 (est) |
| Soluble in: | |
| alcohol | |
| water, 158.9 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Axsyn |
| For experimental / research use only. |
| 3-Hepten-1-ol,1-acetate, (3E)- |
| BOC Sciences |
| For experimental / research use only. |
| (E)-Hept-3-enyl acetate |
| Parchem |
| (E)-3-hepten-1-yl acetate |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.24 (μg/capita/day) | ||
| 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: 10 | |||
| Click here to view publication 10 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 5.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 3.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | 2.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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 Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| 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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1576-77-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5363206 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(E)-hept-3-enyl] acetate |
| Chemidplus:0001576778 |
| [(E)-hept-3-enyl] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1576-77-8 |
| Pubchem (cid): | 5363206 |
| Pubchem (sid): | 135198984 |
| (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 |
| HMDB (The Human Metabolome Database): | HMDB37618 |
| FooDB: | FDB016731 |
| Export Tariff Code: | 2915.39.9050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| acetic acid (E)-hept-3-enyl ester | |
| (3E)- | hept-3-en-1-yl acetate |
| (E)- | hept-3-enyl acetate |
| [(E)- | hept-3-enyl] acetate |
| hept-3(trans)-enyl acetate | |
| (E)-3- | hepten-1-ol acetate |
| 3- | hepten-1-ol, acetate, (3E)- |
| 3- | hepten-1-ol, acetate, (E)- |
| (E)-3- | hepten-1-yl acetate |
| trans-3- | hepten-1-yl acetate |
| (E)-3- | heptenyl acetate |
| trans-3- | heptenyl acetate |
| 3- | heptenyl acetate, (E)- |
| 3- | heptenyl acetate, trans- |
| None found yet. Try the PubMed Search. |
