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3-hexen-1-yl isobutyrate
Notes:
None found
| CAS Number: | 57859-47-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 260-993-3 | |
| FDA UNII: | R84N0RD251 | |
| Nikkaji Web: | J150.350B | |
| Beilstein Number: | 1759547 | |
| Molecular Weight: | 170.25186000 | |
| Formula: | C10 H18 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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 |
| Google Patents: | Search |
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| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 211.00 to 212.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.182000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 167.00 °F. TCC ( 75.00 °C. ) (est) |
| logP (o/w): | 3.294 (est) |
| Soluble in: | |
| alcohol | |
| water, 60.2 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| 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: | |
|
oral-rat LD50 > 25000 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. oral-mouse LD50 > 25000 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 3-hexenyl isobutyrate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 3-hexenyl isobutyrate flavor usage levels up to: | |||
| not for flavor use. | |||
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 : | 5352539 |
| National Institute of Allergy and Infectious Diseases: | Data |
| hex-3-enyl 2-methylpropanoate | |
| Chemidplus: | 0057859479 |
References:
| hex-3-enyl 2-methylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5352539 |
| Pubchem (sid): | 135116769 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| pavetta indica leaf Search Trop Picture |
Synonyms:
| hex-3-en-1-yl 2-methylpropanoate | |
| hex-3-enyl 2-methylpropanoate | |
| hex-3-enyl isobutyrate | |
| 3- | hexen-1-yl isobutyrate |
| 3- | hexenyl 2-methyl propanoate |
| 3- | hexenyl 2-methylpropanoate |
| 3- | hexenyl isobutanoate |
| propanoic acid, 2-methyl-, 3-hexen-1-yl ester |