Articles:
cis-3-butyl-3a,4,5,6-tetrahydrophthalide
Notes:
None found
| CAS Number: | 4567-33-3 |  3D/inchi
|
| Other(deleted CASRN): | 123049-49-0 | |
| FDA UNII: | 9GXU758IFX | |
| Nikkaji Web: | J397.497I | |
| XlogP3-AA: | 3.30 (est) | |
| Molecular Weight: | 194.27386000 | |
| Formula: | C12 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 |
| 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: | 342.00 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 288.00 °F. TCC ( 142.10 °C. ) (est) |
| logP (o/w): | 2.912 (est) |
| Soluble in: | |
| water, 168 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-neocnidilide usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for cis-neocnidilide 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 : | 3083857 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one | |
| Chemidplus: | 0004567333 |
References:
| (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3083857 |
| Pubchem (sid): | 135231161 |
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 |
| CHEMBL: | View |
| KEGG (GenomeNet): | C17002 |
| HMDB (The Human Metabolome Database): | HMDB34450 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| celery Search Trop Picture |
Synonyms:
| 1(3H)-iso | benzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, cis-(-)- |
| (3S,3aR)-3- | butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one |
| cis-3- | butyl-3a,4,5,6-tetrahydrophthalide |
| (3S,3aR)-(-)- | sedanolide |