Dimethyl benzyl carbinyl butyrate (CAS 10094-34-5) — formula C14H20O2, molecular weight 220.15 g/mol.
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.
Public-database records for Dimethyl benzyl carbinyl butyrate (CAS 10094-34-5), reproduced here for independent cross-checking.
| 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]
| 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) |
| 沸点 | 253.00 to 255.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 237-255 °C |
| 密度 | 0.960-0.971 |
| 折射率 | 1.484-1.489 |
| CAS Registry Number | 10094-34-5 |
|---|---|
| PubChem CID | 24915 |
| 分子式 | C14H20O2 |
| 分子量 | 220.15 g/mol |
| IUPAC 名称 | (2-methyl-1-phenylpropan-2-yl) butanoate |
| InChIKey | SHSGYHAHMQLYRB-UHFFFAOYSA-N |
| UNII（FDA） | 3Q0C60547R |
| ChEBI 编号 | CHEBI:185847 |
| FEMA 编号 | 2394 |
| JECFA 编号 | 1656 |
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
| 分子量 | 220.31 |
|---|---|
| XLogP3 | 3.5 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 6 |
| 精确质量 | 220.146329876 |
| 单同位素质量 | 220.146329876 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
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. 沸点: 253.00 to 255.00 °C. @ 760.00 mm Hg; 沸点: 237-255 °C; 密度: 0.960-0.971.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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