1-phenylethyl isobutyrate (CAS 7775-39-5) — formula C12H16O2, molecular weight 192.25; category organic chemicals.
| CAS Number | 7775-39-5 |
|---|---|
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.25 |
| Boiling Point | 219 °C; 80 °C (3 mm Hg) |
| LogP | 3.1 |
| Category | Organic Chemicals |
1-phenylethyl isobutyrate is a carbon-based organic compound with CAS registry number 7775-39-5 and molecular formula C12H16O2 (molecular weight 192.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7775-39-5
Its molecular formula C12H16O2 comprises 12 C, 16 H, 2 O atoms.
Also known as: 1-phenylethyl isobutyrate · 1-苯乙基异丁酸酯
Category: organic chemicals
The CAS registry number of 1-phenylethyl isobutyrate is 7775-39-5.
Molecular formula C12H16O2, molecular weight 192.25.
It is also registered under: 1-phenylethyl isobutyrate, 1-苯乙基异丁酸酯.
Category: Organic Chemicals.
Independent reference data for 1-phenylethyl isobutyrate (CAS 7775-39-5), compiled from public chemistry databases.
| CAS Registry Number | 7775-39-5 |
|---|---|
| PubChem CID | 569214 |
| Molecular formula | C12H16O2 |
| IUPAC name | 1-phenylethyl 2-methylpropanoate |
| UNII (FDA) | K9REG8PIWP |
| FEMA number | 2687 |
| JECFA number | 804 |
| Molecular Weight | 192.25 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 192.115029749 |
| Monoisotopic Mass | 192.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 219 °C; 80 °C (3 mm Hg) |
|---|---|
| Density | 0.977-0.983 |
| Refractive Index | 1.480-1.486 |
7775-39-5; 1-phenylethyl 2-methylpropanoate; alpha-Methylbenzyl isobutyrate; Propanoic acid, 2-methyl-, 1-phenylethyl ester; K9REG8PIWP; FEMA No. 2687; Methylphenylcarbinyl isobutyrate; alpha-Methylbenzyl 2-methylpropanoate; Isobutyric acid, alpha-methylbenzyl ester; DTXSID50864119; RefChem:555863; DTXCID80812668; 1-Phenylethyl isobutyrate; Styralyl isobutyrate; UNII-K9REG8PIWP; 1-Phenyl-1-ethyl isobutyrate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (91 / 91) |
| GHS notification summary | 100% (91 / 91) |
|---|
This chemical does not meet GHS hazard criteria for 100% (91 of 91) of all reports.
Reported as not meeting GHS hazard criteria by 91 of 91 companies. For more detailed information, please visit ECHA C&L website.
1-phenylethyl isobutyrate · CAS 7775-39-5 · C12H16O2. UNII K9REG8PIWP. Boiling Point: 219 °C; 80 °C (3 mm Hg); Density: 0.977-0.983; Refractive Index: 1.480-1.486.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-苯乙基异丁酸酯