Articles:
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benzoic acid, 2-hydroxy-, 1,3-dimethyl-3-butenyl ester
Notes:
None found
| CAS Number: | 80118-10-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 279-400-4 | |
| Nikkaji Web: | J320.234H | |
| XlogP3: | 4.50 (est) | |
| Molecular Weight: | 220.26812000 | |
| Formula: | C13 H16 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: fragrance agents
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 |
| Perfumer and Flavorist: | 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: | 304.00 to 307.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.000450 mmHg @ 25.00 °C. (est) |
| Flash Point: | 250.00 °F. TCC ( 121.10 °C. ) (est) |
| logP (o/w): | 4.393 (est) |
| Soluble in: | |
| alcohol | |
| water, 8.437 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
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: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| maximum skin levels for fine fragrances: | |||
| 0.0200 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). | |||
| use level in formulae for use in cosmetics: | |||
| 0.0200 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0005 mg/kg/day | |||
| Recommendation for 1,3-dimethyl-3-butenyl salicylate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 80118-10-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 16205339 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 4-methylpent-4-en-2-yl 2-hydroxybenzoate | |
| Chemidplus: | 0080118101 |
References:
| 4-methylpent-4-en-2-yl 2-hydroxybenzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 80118-10-1 |
| Pubchem (cid): | 16205339 |
| Pubchem (sid): | 135248130 |
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): | Search |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| benzoic acid, 2-hydroxy-, 1,3-dimethyl-3-buten-1-yl ester | |
| benzoic acid, 2-hydroxy-, 1,3-dimethyl-3-butenyl ester | |
| 4- | methylpent-4-en-2-yl 2-hydroxybenzoate |