Articles:
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butanoic acid, 2-methyl-, (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl ester
Notes:
None found
| CAS Number: | 138530-44-6 |  3D/inchi
|
| FDA UNII: | Search | |
| Nikkaji Web: | J430.609K | |
| XlogP3-AA: | 3.60 (est) | |
| Molecular Weight: | 236.35468000 | |
| Formula: | C15 H24 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: flavoring 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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| DG SANTE Food Flavourings: | 09.899 myrtenyl-2-methylbutyrate |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96400 to 0.97000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.021 to 8.071 |
| Refractive Index: | 1.46600 to 1.47000 @ 20.00 °C. |
| Boiling Point: | 345.00 °C. @ 760.00 mm Hg |
| Soluble in: | |
| water, 1.001 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: | flavoring agents | ||
| Recommendation for myrtenyl 2-methyl butyrate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Structure Class: | I | ||
Safety References:
| European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): | |
| Scientific Opinion on Flavouring Group Evaluation 208 Revision 1 (FGE.208Rev1): Consideration of genotoxicity data on representatives for 10 alicyclic aldehydes with the a,ß-unsaturation in ring / side-chain and precursors from chemical subgroup 2.2 of View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 208 Revision 2 (FGE.208Rev2): Consideration of genotoxicity data on alicyclic aldehydes with a,ß-unsaturation in ring/side-chain and precursors from chemical subgroup 2.2 of FGE.19 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 208 Revision 3 (FGE.208Rev3): consideration of genotoxicity data on alicyclic aldehydes with a,ß-unsaturation in ring/side-chain and precursors from chemical subgroup 2.2 of FGE.19 View page or View pdf | |
| 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 : | 90424408 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 2-methylbutanoate | |
References:
| (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 2-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 90424408 |
| Pubchem (cas): | 138530-44-6 |
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 |
| VCF-Online: | VCF Volatile Compounds in Food |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| butanoic acid, 2-methyl-, (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl ester | |
| (6,6- | dimethyl bicyclo(3.3.1)hept-2-en-2-yl) methyl 2-methyl butanoate |
| (6,6- | dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 2-methylbutanoate |
| myrtenyl 2-methylbutyrate | |
| myrtenyl-2-methyl butyrate | |
| myrtenyl-2-methylbutyrate |