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benzyl heptanoate
General Material Information
| Preferred name | benzyl heptanoate |
| Trivial Name | Phenylmethyl heptanoate |
| Short Description | heptanoic acid, phenylmethyl ester |
| Formula | C14 H20 O2 |
| CAS Number | 5454-21-7 |
| ECHA Number | 226-705-5 |
| FDA UNII | Search |
| Nikkaji Number | J210.506C |
| xLogP3-AA | 4.10 (est) |
| NMR Predictor | External link |
| 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 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.90.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 220.3117980957 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Vapor Pressure | 0.002 mmHg @ 25 °C |
| Flash Point TCC Value | 106.67 °C TCC |
| logP (o/w) | 4.545 est |
| Solubility | |
| alcohol | Yes |
| water, 4.582 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, apricot, herbal, sage | |
| General comment | At 100.00 %. mild fruity apricot herbal sage |
Occurrences
| (data available) |
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 benzyl heptanoate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
Safety references
| 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 :79554 |
| National Institute of Allergy and Infectious Diseases:Data |
| benzyl heptanoate |
| Chemidplus:0005454217 |