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citronellyl isovalerate
General Material Information
| Preferred name | citronellyl isovalerate |
| Trivial Name | Citronellyl isovalerate |
| Short Description | 3,7-dimethyl-6-octen-1-yl 3-methylbutanoate |
| Formula | C15 H28 O2 |
| CAS Number | 68922-10-1 |
| Flavis Number | 9.46 |
| ECHA Number | 272-982-0 |
| FDA UNII | Search |
| Nikkaji Number | J46.678F |
| COE Number | 455 |
| xLogP3-AA | 5.00 (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 |
Literature & References
| 3,7-dimethyloct-6-enyl 3-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68922-10-1 |
| Pubchem (cid): | 111440 |
| Pubchem (sid): | 135068413 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB38954 |
| FooDB: | FDB018437 |
| Export Tariff Code: | 2915.60.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Augustus Oils | BOC Sciences |
| Grau Aromatics | Lluch Essence |
| Naturamole | Penta International |
| SRS Aromatics | Synerzine |
| Augustus Oils Ltd | Penta International Corporation |
| SRS Aromatics Ltd |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 240.38656616211 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.322 to 7.406 |
| Refractive Index | 1.443 to 1.453 @ 20 °C |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 91.11 °C TCC |
| logP (o/w) | 5.578 est |
| Solubility | |
| alcohol | Yes |
| water, 0.2171 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| honey, rose, herbal, chamomile, currant black currant, apple | |
| General comment | At 100.00 %. honey rose herbal chamomile black currant apple |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Chamomile , Currant black currant , Date , Honey , Melon , Orange blossom , Orchid , Patchouli , Quince , Rose , Rose moss rose |
| Flavoring purposes | Grenadine |
| Cosmetic purposes | Perfuming agents |
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 citronellyl isovalerate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):68922-10-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :111440 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3,7-dimethyloct-6-enyl 3-methylbutanoate |
| Chemidplus:0068922101 |