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Benzeneethanol, a,a-dimethyl-, 1-formate
CAS number：10058-43-2 molecular formula：C11H14O3-
overview
Specs
| Chinese alias | - | ||
| English alias | Benzeneethanol,a,a-dimethyl-, formate (9CI); Phenethyl alcohol, a,a-dimethyl-, formate (6CI,8CI); Benzyldimethylcarbinylformate; Dimethylbenzylcarbinyl formate; a,a-Dimethylphenethyl formate | ||
| CAS number | 10058-43-2 | molecular formula | C11H14O3- |
| molecular weight | 178.2277 | Exact mass | - |
| PSA | - | logp | - |
numbering system
| CAS | 10058-43-2 |
| UNII | 48E8S6VRQ8 |
| HMDB ID | HMDB0036235 |
| ChEBI ID | 173826 |
| Wikidata | Q27259135 |
| FEMA Number | 2395 |
| PubChem CID | 61464 |
| JECFA Number | 1654 |
| Nikkaji Number | J414.427I |
| DSSTox Substance ID | DTXSID50864199 |
| Metabolomics Workbench ID | 47289 |
| European Community (EC) Number | 600-112-5 |
| PubChem Reference Collection SID | 505584315 |
| MEP ID | _25Q1B3U81 |
physicochemical properties
| XLogP3 | XLogP3-AA: 2.7 |
| Density | 1.018-1.030 (20°) |
| Complexity | 157 |
| Exact Mass | 178.099379685 |
| Solubility | Soluble (in ethanol) |
| Boiling Point | 221.00 to 222.00 °C. @ 760.00 mm Hg |
| Formal Charge | 0 |
| Food Additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Flavoring Agents | EU Flavoring substances |
| Heavy Atom Count | 13 |
| Molecular Weight | 178.23 |
| Refractive Index | 1.494-1.502 |
| Monoisotopic Mass | 178.099379685 |
| Isotope Atom Count | 0 |
| Physical Description | Colourless liquid; Dry, herbaceous, green, floral aroma |
| Rotatable Bond Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 26.3 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Primary Hazards：
Not Classified
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: Benzeneethanol, .alpha.,.alpha.-dimethyl-, formate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories：
Not Classified
Production methods and uses
purpose
Uses：
CPDat Function Use: cpdatfun
Use Classification：
Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 0 shareMSDS
