Articles:
2-cyclopentene-1-octanoic acid, 4-oxo-5-(2-pentenyl)-, [1S-[1a,5a(Z)]]-
Notes:
a jasmonate precursor that induces phytoalexin synthesis.
| CAS Number: | 67204-66-4 |  3D/inchi
|
| Nikkaji Web: | J264.010D | |
| Beilstein Number: | 4354678 | |
| XlogP3-AA: | 4.70 (est) | |
| Molecular Weight: | 292.41876000 | |
| Formula: | C18 H28 O3 | |
| BioActivity Summary: | listing | |
| 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:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 447.70 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 462.00 °F. TCC ( 238.70 °C. ) (est) |
| logP (o/w): | 4.157 (est) |
| Soluble in: | |
| water, 0.6861 mg/L @ 25 °C (est) | |
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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for (+)-cis-12-oxo-phytodienoic acid usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (+)-cis-12-oxo-phytodienoic acid 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 : | 5280411 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid | |
| Chemidplus: | 0067204664 |
References:
| 8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5280411 |
| Pubchem (sid): | 135166390 |
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 |
| CHEBI: | View |
| KEGG (GenomeNet): | C01226 |
| 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
| found in nature |
Synonyms:
| 2- | cyclopentene-1-octanoic acid, 4-oxo-5-(2-pentenyl)-, [1S-[1a,5a(Z)]]- |
| 8-{(1S,5S)-4-oxo-5-[(2Z)- | pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acid |
| 8-[(1S,5S)-4-oxo-5-[(Z)- | pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid |
| 8-{(1S,5S)-4-oxo-5-[(2Z)-2- | penten-1-yl]-2-cyclopenten-1-yl}octanoic acid |
| 8-(2-(cis-2'- | pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid |
| (15Z)-12-oxo | phyto-10,15-dienoic acid |
| (9S,13S,15Z)-12-oxo-10,15- | phytodienoic acid |
| (9S,13S)-12-oxo | phytodienoic acid |
| 12-oxo-10,15(Z)- | phytodienoic acid |
| cis-(+)-12-oxo- | phytodienoic acid |