Dimethyl phenethyl carbinyl isobutyrate (CAS 10031-71-7) — formula C15H22O2, molecular weight 234.16 g/mol.
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, 1, 1-dimethyl-3-phenylpropyl ester: ACTIVE.
Dimethyl phenethyl carbinyl isobutyrate is a chemical compound with CAS registry number 10031-71-7 and molecular formula C15H22O2 (molecular weight 234.16 g/mol).
CAS number: 10031-71-7
Its molecular formula C15H22O2 comprises 15 C, 22 H, 2 O atoms.
Also known as: Dimethyl phenethyl carbinyl isobutyrate · 1,1-dimethyl-3-phenylpropyl isobutyrate
The CAS registry number of Dimethyl phenethyl carbinyl isobutyrate is 10031-71-7.
Molecular formula C15H22O2, molecular weight 234.16 g/mol.
It is also registered under: Dimethyl phenethyl carbinyl isobutyrate, 1,1-dimethyl-3-phenylpropyl isobutyrate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, 1, 1-dimethyl-3-phenylpropyl ester: ACTIVE.
Public-database records for Dimethyl phenethyl carbinyl isobutyrate (CAS 10031-71-7), reproduced here for independent cross-checking.
| GHS 通报统计 | 100% (90 / 90) |
|---|
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: 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 通报统计 | 100% (90 / 90) |
| 沸点 | 250.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 250 °C |
| 密度 | 0.949-0.959 |
| 折射率 | 1.475-1.485 |
| CAS 号 | 10031-71-7 |
|---|---|
| PubChem CID | 61446 |
| 分子式 | C15H22O2 |
| 分子量 | 234.16 g/mol |
| IUPAC 名称 | (2-methyl-4-phenylbutan-2-yl) 2-methylpropanoate |
| InChIKey | WCEXWNUHYPYHDN-UHFFFAOYSA-N |
| UNII（FDA） | G0GW9X884I |
| ChEBI 编号 | CHEBI:196148 |
| FEMA 编号 | 2736 |
| JECFA 编号 | 1461 |
10031-71-7; 1,1-Dimethyl-3-phenylpropyl isobutyrate; Dmpec isobutyrate; papaya isobutyrate; Dmpec 2-methylpropanoate; Propanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl ester; FEMA No. 2736; Dimethyl phenethyl carbinyl isobutyrate; Dimethylphenyl ethylcarbinyl isobutyrate; 1,1-Dimethyl-3-phenylpropyl 2-methylpropanoate; Dimethyl(phenylethyl)carbinyl isobutyrate; 2-Methyl-4-phenyl-2-butyl isobutyrate; G0GW9X884I; Phenylethyl dimethyl carbinyl isobutyrate; Isobutyric acid, 1,1-dimethyl-3-phenylpropyl ester; EINECS 233-092-8
| 分子量 | 234.33 |
|---|---|
| XLogP3 | 4.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 6 |
| 精确质量 | 234.161979940 |
| 单同位素质量 | 234.161979940 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 17 |
| 形式电荷 | 0 |
2-甲基丙酸-1,1-二甲基-3-苯基丙基酯 的 CAS 号为 10031-71-7，分子式 C15H22O2，分子量 234.16 g/mol。 UNII G0GW9X884I; ChEBI 196148; InChIKey WCEXWNUHYPYHDN-UHFFFAOYSA-N. 沸点: 250.00 °C. @ 760.00 mm Hg; 沸点: 250 °C; 密度: 0.949-0.959.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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