Articles:
acetoacetic acid, cyclohexyl ester
Notes:
None found
| CAS Number: | 6947-02-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 230-111-1 | |
| FDA UNII: | FZ8SGS0N2B | |
| Nikkaji Web: | J86.305J | |
| Beilstein Number: | 1950710 | |
| XlogP3-AA: | 1.80 (est) | |
| Molecular Weight: | 184.23512000 | |
| Formula: | C10 H16 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: information only not used for fragrances or flavors
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:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 257.00 to 259.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.014000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 225.00 °F. TCC ( 107.22 °C. ) |
| logP (o/w): | 1.830 (est) |
| Soluble in: | |
| alcohol | |
| water, 230 mg/L @ 35 °C (exp) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| amyl acetoacetate | |
| isoamyl acetoacetate | |
| para-anisyl acetoacetate | |
| benzyl acetoacetate | |
| bergamot acetoacetate | |
| butyl acetoacetate | |
| isobutyl acetoacetate | |
| cinnamyl acetoacetate | |
| dodecyl acetoacetate | |
| ethyl 2-ethyl acetoacetate | |
| ethyl acetoacetate | |
| geranyl acetoacetate | |
| heptyl acetoacetate | |
| (Z)-3-hexen-1-yl acetoacetate | |
| hexyl acetoacetate | |
| jasmin acetoacetate | |
| laevo-menthyl acetoacetate | |
| methyl acetoacetate | |
| spicy acetoacetate | |
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: | |
|
oral-mouse LD50 7200 ul/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. | |
| Dermal Toxicity: | |
|
skin-mouse LD50 > 10 ml/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | information only not used for fragrances or flavors | ||
| Recommendation for cyclohexyl acetoacetate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for cyclohexyl acetoacetate 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 : | 23376 |
| National Institute of Allergy and Infectious Diseases: | Data |
| cyclohexyl 3-oxobutanoate | |
| Chemidplus: | 0006947020 |
References:
| cyclohexyl 3-oxobutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 23376 |
| Pubchem (sid): | 134987679 |
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:
| acetoacetic acid cyclohexyl ester | |
| acetoacetic acid, cyclohexyl ester | |
| 3-oxo | butanoic acid cyclohexyl ester |
| butanoic acid, 3-oxo-, cyclohexyl ester (9CI) | |
| cyclohexyl 3-oxobutanoate | |
| cyclohexyl acetonacetate | |
| cyclohexylacetonacetate |