Dimethyl phenethyl carbinyl acetate (CAS 103-07-1) — formula C13H18O2, molecular weight 206.13 g/mol.
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzenepropanol, .alpha., .alpha.-dimethyl-, 1-acetate: ACTIVE.
Dimethyl phenethyl carbinyl acetate is a chemical compound with CAS registry number 103-07-1 and molecular formula C13H18O2 (molecular weight 206.13 g/mol).
CAS number: 103-07-1
Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms.
Also known as: Dimethyl phenethyl carbinyl acetate · 1,1-dimethyl-3-phenylpropyl acetate
The CAS registry number of Dimethyl phenethyl carbinyl acetate is 103-07-1.
Molecular formula C13H18O2, molecular weight 206.13 g/mol.
It is also registered under: Dimethyl phenethyl carbinyl acetate, 1,1-dimethyl-3-phenylpropyl acetate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzenepropanol, .alpha., .alpha.-dimethyl-, 1-acetate: ACTIVE.
Public-database records for Dimethyl phenethyl carbinyl acetate (CAS 103-07-1), reproduced here for independent cross-checking.
| GHS notification summary | 86.1% (235 / 273) |
|---|---|
| Reported hazard statements | H317 (13.9%) |
This chemical does not meet GHS hazard criteria for 86.1% (235 of 273) of all reports.
H317 (13.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 86.1% (235 / 273) |
| 沸点 | 243.00 to 244.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 244 °C |
| 密度 | 0.986-0.990 (15 °C) |
| 折射率 | 1.488-1.490 |
| CAS Registry Number | 103-07-1 |
|---|---|
| PubChem CID | 7633 |
| 分子式 | C13H18O2 |
| 分子量 | 206.13 g/mol |
| IUPAC 名称 | (2-methyl-4-phenylbutan-2-yl) acetate |
| InChIKey | ZXFNOEJFYLQUSB-UHFFFAOYSA-N |
| UNII（FDA） | 9YRG98MG30 |
| FEMA 编号 | 2735 |
| JECFA 编号 | 1460 |
2-Methyl-4-phenyl-2-butyl acetate; RefChem:475593; 103-07-1; 1,1-Dimethyl-3-phenylpropyl acetate; Dmpec acetate; Dimethylphenylethylcarbinyl acetate; Dimethyl phenethyl carbinyl acetate; 2-Methyl-4-phenyl-2-acetoxybutane; FEMA No. 2735; Dimethylphenethylcarbinyl acetate; (2-methyl-4-phenylbutan-2-yl) acetate; Phenylethyl dimethyl carbinyl acetate; 2-methyl-4-phenylbutan-2-yl acetate; 2-Methyl-4-phenyl-2-butanyl acetate; alpha,alpha-Dimethylbenzenepropyl acetate; 2-Butanol, 2-methyl-4-phenyl-, acetate
| 分子量 | 206.28 |
|---|---|
| XLogP3 | 3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 5 |
| 精确质量 | 206.130679813 |
| 单同位素质量 | 206.130679813 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 15 |
| 形式电荷 | 0 |
Dimethyl phenethyl carbinyl acetate is identified by CAS 103-07-1, molecular formula C13H18O2 and molecular weight 206.13 g/mol. UNII 9YRG98MG30; InChIKey ZXFNOEJFYLQUSB-UHFFFAOYSA-N. 沸点: 243.00 to 244.00 °C. @ 760.00 mm Hg; 沸点: 244 °C; 密度: 0.986-0.990 (15 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
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