Articles:
| PubMed: | Temporal changes in aroma release of Longjing tea infusion: interaction of volatile and nonvolatile tea components and formation of 2-butyl-2-octenal upon aging. |
2-octenal, 2-butyl, (E)-
Notes:
Found in essential oils of Acorus calamus (sweet flag) and Lactuca sativa
| CAS Number: | 64935-38-2 |  3D/inchi
|
| FDA UNII: | 528869X357 | |
| Nikkaji Web: | J450.280I | |
| XlogP3-AA: | 4.50 (est) | |
| Molecular Weight: | 182.30654000 | |
| Formula: | C12 H22 O | |
| 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 |
| US Patents: | Search |
| 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: | 262.00 to 263.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.011000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 179.00 °F. TCC ( 81.40 °C. ) (est) |
| logP (o/w): | 4.756 (est) |
| Soluble in: | |
| alcohol | |
| water, 6.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Aston Chemical |
| For experimental / research use only. |
| 2-Octenal, 2-butyl-, (E)- |
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: | natural substances and extractives | ||
| Recommendation for (E)-2-butyl-2-octenal usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (E)-2-butyl-2-octenal 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 : | 5352696 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (E)-2-butyloct-2-enal | |
| Chemidplus: | 0064935382 |
References:
| (E)-2-butyloct-2-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5352696 |
| Pubchem (sid): | 134989587 |
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): | HMDB38972 |
| FooDB: | FDB018458 |
| 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
| calamus Search Trop Picture | |
| lettuce Search Trop Picture |
Synonyms:
| (E)-2- | butyloct-2-enal |
| (E)-2- | hexylidene hexanal |
| (E)-2- | hexylidenehexanal |
| 2- | octenal, 2-butyl, (2E)- |
| 2- | octenal, 2-butyl, (E)- |