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ethyl (Z)-4-heptenoate
General Material Information
| Preferred name | ethyl (Z)-4-heptenoate |
| Trivial Name | Ethyl (4Z)-4-heptenoate |
| Short Description | ethyl cis-4-heptenoate |
| Formula | C9 H16 O2 |
| CAS Number | 39924-27-1 |
| FEMA Number | 3975 |
| Flavis Number | 9.922 |
| ECHA Number | 254-702-9 |
| FDA UNII | 27Y1FYY1BV |
| Nikkaji Number | J2.214.284D |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1281 ethyl cis-4-heptenoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 39924-27-1 ; ETHYL 4-HEPTENOATE, CIS- |
| 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 (Z)-hept-4-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 39924-27-1 |
| Pubchem (cid): | 5362816 |
| Pubchem (sid): | 135065001 |
| Publications by US Patents | |
| 3,953,377 - Ethyl-2-trans-4-cis undecadienoate, ethyl-2-trans-4-cis dodecadienoate and ethyl-2-decadienoate perfume compositions | |
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 |
| HMDB (The Human Metabolome Database): | HMDB32265 |
| FooDB: | FDB009388 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 156.22491455078 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.381 to 7.464 |
| Refractive Index | 1.428 to 1.431 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 1.24 mmHg @ 25 °C |
| Flash Point TCC Value | 57.22 °C TCC |
| logP (o/w) | 2.896 est |
| Solubility | |
| alcohol | Yes |
| water, 158.9 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| green, apple green apple, fruity, tropical, grape skin, papaya, passion fruit, pineapple | |
| Luebke, William tgsc, (2017) | At 100.00 %. green green apple fruity tropical grape skin papaya passion fruit pineapple |
| Flavor Type: Fruity | |
| fruity, passion fruit, green, tropical, apple, mango, vegetable | |
| Luebke, William tgsc, (2017) | Fruity passion fruit green tropical apple mango vegetable |
| General comment | Bitter green apple or vegetable |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Fruit |
Safety Information
Safety information
| 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 | |
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 ethyl (Z)-4-heptenoate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.40 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 4.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | ND (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/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: 20 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 15.00000 | 30.00000 | |
| beverages(nonalcoholic): | 8.00000 | 12.00000 | |
| beverages(alcoholic): | 8.00000 | 12.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 40.00000 | 80.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 10.00000 | 15.00000 | |
| fruit ices: | 8.00000 | 12.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 12.00000 | 20.00000 | |
| 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: | 10.00000 | 15.00000 | |
| 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): |
| Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5362816 |
| National Institute of Allergy and Infectious Diseases:Data |
| ethyl (Z)-hept-4-enoate |
| Chemidplus:0039924271 |