Articles:
(S)-gamma-hexenolactone
Notes:
sole constituent of "vogelbeerol" oil obtained by steam distillation of the acidified juice of the ripe berries of the mountain ash.
| CAS Number: | 10048-32-5 |  3D/inchi
|
| FDA UNII: | DCN48OUK3T | |
| Nikkaji Web: | J51.180C | |
| Beilstein Number: | 0080685 | |
| XlogP3-AA: | 1.10 (est) | |
| Molecular Weight: | 112.12816000 | |
| Formula: | C6 H8 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: | 227.00 to 228.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.076000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 187.00 °F. TCC ( 86.00 °C. ) (est) |
| logP (o/w): | 0.381 (est) |
| Soluble in: | |
| water, 4.992e+004 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: | |
|
intravenous-mouse LD50 195 mg/kg Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 617, 1969. intraperitoneal-mouse LD50 250 mg/kg "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 253, 1982. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 5040 mg/kg American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for (S)-parasorbic acid usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (S)-parasorbic acid 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 : | 441575 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (2S)-2-methyl-2,3-dihydropyran-6-one | |
| Chemidplus: | 0000108543 |
References:
| (2S)-2-methyl-2,3-dihydropyran-6-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 441575 |
| Pubchem (sid): | 135054192 |
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): | C08502 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB001425 |
| 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
| ash european mountain ash Search Trop Picture | |
| bergenia ligulata Search Trop Picture | |
| cranberry shoot Search Trop Picture |
Synonyms:
| (S)-(+)-5,6- | dihydro-6-methyl-2H-pyran-2-one |
| (S)-2- | hexen-5-olide |
| (S)-gamma- | hexenolactone |
| (2S)-2- | methyl-2,3-dihydropyran-6-one |
| (S)- | sorbic oil |