1,1-dimethyl-3-phenylpropyl isobutyrate (CAS 10031-71-7) — formula C15H22O2, molecular weight 234.33; category organic chemicals.
| CAS Number | 10031-71-7 |
|---|---|
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 |
| Boiling Point | 250.00 °C. @ 760.00 mm Hg |
| LogP | 4.1 |
| Category | Organic Chemicals |
1,1-dimethyl-3-phenylpropyl isobutyrate is a carbon-based organic compound with CAS registry number 10031-71-7 and molecular formula C15H22O2 (molecular weight 234.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 10031-71-7
Its molecular formula C15H22O2 comprises 15 C, 22 H, 2 O atoms.
Also known as: 1,1-dimethyl-3-phenylpropyl isobutyrate · 2-甲基丙酸-1,1-二甲基-3-苯基丙基酯 · Dimethyl phenethyl carbinyl isobutyrate
Category: organic chemicals
The CAS registry number of 1,1-dimethyl-3-phenylpropyl isobutyrate is 10031-71-7.
Molecular formula C15H22O2, molecular weight 234.33.
It is also registered under: 1,1-dimethyl-3-phenylpropyl isobutyrate, 2-甲基丙酸-1,1-二甲基-3-苯基丙基酯, Dimethyl phenethyl carbinyl isobutyrate.
Category: Organic Chemicals.
Independent reference data for 1,1-dimethyl-3-phenylpropyl isobutyrate (CAS 10031-71-7), compiled from public chemistry databases.
| 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 |
| Molecular Weight | 234.33 |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 234.161979940 |
| Monoisotopic Mass | 234.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 17 |
| Boiling Point | 250.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 250 °C |
| Density | 0.949-0.959 |
| Refractive Index | 1.475-1.485 |
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
| 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) |
| GHS 通报统计 | 100% (90 / 90) |
|---|
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. Boiling Point: 250.00 °C. @ 760.00 mm Hg; Boiling Point: 250 °C; Density: 0.949-0.959.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-甲基丙酸-1,1-二甲基-3-苯基丙基酯