Articles:
4H-1-benzopyran-4-one, 2-hydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-
Notes:
intoxicating component of powdered ferula communis variety brevifolia.
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| CAS Number: | 6805-34-1 |  3D/inchi
|
| Nikkaji Web: | J128.596C | |
| MDL: | MFCD02183471 | |
| XlogP3-AA: | 6.90 (est) | |
| Molecular Weight: | 366.50070000 | |
| Formula: | C24 H30 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 |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 492.80 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 323.00 °F. TCC ( 161.70 °C. ) (est) |
| logP (o/w): | 7.730 (est) |
| Soluble in: | |
| water, 0.001063 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Ferulenol ≥95%
Odor: characteristic Use: Ferulenol is first isolated from F. communis and it is a prenylated 4-hydroxycoumarin that shows potent antimycobacterial activ |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Ferulenol ≥96% |
Safety Information:
| Preferred SDS: View | |
| 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 ferulenol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for ferulenol flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 54679300 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one | |
| Chemidplus: | 0006805341 |
References:
| 4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 54679300 |
| Pubchem (sid): | 135079018 |
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 |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 4H-1- | benzopyran-4-one, 2-hydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]- |
| 4- | hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-2H-1-benzopyran-2-one |
| 4- | hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one |