Articles:
| None found yet. Try the PubMed Search. |
heptanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
Notes:
None found
| CAS Number: | 73019-15-5 |  3D/inchi
|
| Nikkaji Web: | J260.951G | |
| XlogP3-AA: | 5.90 (est) | |
| Molecular Weight: | 266.42450000 | |
| Formula: | C17 H30 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| 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 |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 348.00 to 349.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000047 mmHg @ 25.00 °C. (est) |
| Flash Point: | 215.00 °F. TCC ( 101.67 °C. ) |
| logP (o/w): | 6.451 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.02307 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl heptanoate | |
| amyl heptanoate | |
| isoamyl heptanoate | |
| benzyl heptanoate | |
| butyl heptanoate | |
| isobutyl heptanoate | |
| decyl heptanoate | |
| ethyl 2-acetyl heptanoate | |
| ethyl heptanoate | |
| eugenyl heptanoate | |
| furfuryl heptanoate | |
| heptyl heptanoate | |
| (Z)-3-hexen-1-yl heptanoate | |
| hexyl heptanoate | |
| methyl heptanoate | |
| nonyl heptanoate | |
| octyl heptanoate | |
| phenethyl heptanoate | |
| prenyl heptanoate | |
| propyl heptanoate | |
Organoleptic Properties:
| Odor Type: floral | |
| floral cognac fusel winey | |
| Odor Description: at 100.00 %. | floral cognac |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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 | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for geranyl heptanoate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 73019-15-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6450452 |
| National Institute of Allergy and Infectious Diseases: | Data |
| [(2E)-3,7-dimethylocta-2,6-dienyl] heptanoate | |
| Chemidplus: | 0073019155 |
References:
| [(2E)-3,7-dimethylocta-2,6-dienyl] heptanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6450452 |
| Pubchem (sid): | 135233458 |
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 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| fermented | ||
| 3- | methyl-1-pentanol | FL/FR |
| floral | ||
| amyl nonanoate | FL/FR | |
| nonyl octanoate | FL/FR | |
| fruity | ||
| allyl heptanoate | FL/FR | |
| brandy extract | FL/FR | |
| green | ||
| green | cognac oil | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| amyl nonanoate | FL/FR | |
| nonyl octanoate | FL/FR | |
| fruity | ||
| allyl heptanoate | FL/FR | |
| brandy extract | FL/FR | |
| fusel | ||
| green | cognac oil | FL/FR |
| whiskey | ||
| 3- | methyl-1-pentanol | FL/FR |
Potential Uses:
| floral | FR |
Occurrence (nature, food, other): note
| geranium leaf oil india @ 0.04% Data GC Search Trop Picture | |
| geranium petiole oil india @ 0.19% Data GC Search Trop Picture | |
| geranium stem oil india @ 0.21% Data GC Search Trop Picture |
Synonyms:
| (E)-3,7- | dimethyl-2,6-octadienyl heptanoate |
| dimethyl-2,6-octadienyl heptanoic acid ester | |
| (2E)-3,7- | dimethyl-2,6-octadienyl heptanoic acid ester |
| dimethyl-2,6-octadienylheptanoic acid ester | |
| (2E)-3,7- | dimethylocta-2,6-dien-1-yl heptanoate |
| [(2E)-3,7- | dimethylocta-2,6-dienyl] heptanoate |
| (E)- | geranyl heptanoate |
| heptanoic acid geranyl ester | |
| heptanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester | |
| heptanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester | |
| (E)- | neryl heptanoate |