Dimethyl benzyl carbinyl butyrate (CAS 10094-34-5) — formula C14H20O2, molecular weight 220.15 g/mol.
| CAS Number | 10094-34-5 |
|---|---|
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.15 g/mol |
| Boiling Point | 253.00 to 255.00 °C. @ 760.00 mm Hg |
| LogP | 3.5 |
Dimethyl benzyl carbinyl butyrate is a chemical compound with CAS registry number 10094-34-5 and molecular formula C14H20O2 (molecular weight 220.15 g/mol).
CAS number: 10094-34-5
Its molecular formula C14H20O2 comprises 14 C, 20 H, 2 O atoms.
Also known as: Dimethyl benzyl carbinyl butyrate · Benzyldimethylcarbinyl butyrate
The CAS registry number of Dimethyl benzyl carbinyl butyrate is 10094-34-5.
Molecular formula C14H20O2, molecular weight 220.15 g/mol.
It is also registered under: Dimethyl benzyl carbinyl butyrate, Benzyldimethylcarbinyl butyrate.
Independent reference data for Dimethyl benzyl carbinyl butyrate (CAS 10094-34-5), compiled from public chemistry databases.
| CAS Registry Number | 10094-34-5 |
|---|---|
| PubChem CID | 24915 |
| Molecular formula | C14H20O2 |
| Molecular weight | 220.15 g/mol |
| IUPAC name | (2-methyl-1-phenylpropan-2-yl) butanoate |
| InChIKey | SHSGYHAHMQLYRB-UHFFFAOYSA-N |
| UNII (FDA) | 3Q0C60547R |
| ChEBI ID | CHEBI:185847 |
| FEMA number | 2394 |
| JECFA number | 1656 |
| Molecular Weight | 220.31 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 220.146329876 |
| Monoisotopic Mass | 220.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 253.00 to 255.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 237-255 °C |
| Density | 0.960-0.971 |
| Refractive Index | 1.484-1.489 |
1,1-Dimethyl-2-phenylethyl butyrate; RefChem:588253; 10094-34-5; Butanoic acid, 1,1-dimethyl-2-phenylethyl ester; Dimethylbenzylcarbinyl butyrate; Benzyldimethylcarbinyl butyrate; alpha,alpha-Dimethylphenethyl butyrate; Dimethyl benzyl carbinyl butyrate; Dmbc butyrate; 2-Benzyl-2-propyl butyrate; Benzyl dimethylcarbinyl butyrate; 1,1-Dimethyl-2-phenylethyl butanoate; Benzyl dimethylcarbinyl n-butyrate; FEMA No. 2394; Benzyl dimethyl carbinyl butyrate; (2-methyl-1-phenylpropan-2-yl) butanoate
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Floral No safety concern at current levels of intake when used as a flavouring agent TRS 947-JECFA68/ |
|---|---|
| GHS notification summary | 1.8% (37 / 2051) |
| GHS notification summary | 1.8% (37 / 2051) |
|---|---|
| Reported hazard statements | H411 (87.4%) |
This chemical does not meet GHS hazard criteria for 1.8% (37 of 2051) of reports.
H411 (87.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Dimethyl benzyl carbinyl butyrate is identified by CAS 10094-34-5, molecular formula C14H20O2 and molecular weight 220.15 g/mol. UNII 3Q0C60547R; ChEBI 185847; InChIKey SHSGYHAHMQLYRB-UHFFFAOYSA-N. Boiling Point: 253.00 to 255.00 °C. @ 760.00 mm Hg; Boiling Point: 237-255 °C; Density: 0.960-0.971.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.