Phenethyl butyrate (CAS 103-52-6) — formula C12H16O2, molecular weight 192.12 g/mol; category organic chemicals.
| CAS Number | 103-52-6 |
|---|---|
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.12 g/mol |
| Boiling Point | 238.00 °C. @ 760.00 mm Hg |
| LogP | 3.1 |
| Category | Organic Chemicals |
Phenethyl butyrate is a carbon-based organic compound with CAS registry number 103-52-6 and molecular formula C12H16O2 (molecular weight 192.12 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 103-52-6
Its molecular formula C12H16O2 comprises 12 C, 16 H, 2 O atoms.
Also known as: Phenethyl butyrate · 丁酸苯乙酯
Category: organic chemicals
The CAS registry number of Phenethyl butyrate is 103-52-6.
Molecular formula C12H16O2, molecular weight 192.12 g/mol.
It is also registered under: Phenethyl butyrate, 丁酸苯乙酯.
Category: Organic Chemicals.
Independent reference data for Phenethyl butyrate (CAS 103-52-6), compiled from public chemistry databases.
| CAS Registry Number | 103-52-6 |
|---|---|
| PubChem CID | 7658 |
| Molecular formula | C12H16O2 |
| Molecular weight | 192.12 g/mol |
| IUPAC name | 2-phenylethyl butanoate |
| InChIKey | WFNDDSQUKATKNX-UHFFFAOYSA-N |
| UNII (FDA) | 02E08ZN98R |
| ChEBI ID | CHEBI:87413 |
| FEMA number | 2861 |
| JECFA number | 991 |
| Molecular Weight | 192.25 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 192.115029749 |
| Monoisotopic Mass | 192.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 238.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 238 °C |
| Density | 0.991-0.994 |
| Refractive Index | 1.487-1.493 |
Phenethyl butyrate; 103-52-6; 2-Phenylethyl butanoate; Phenylethyl butyrate; Butanoic acid, 2-phenylethyl ester; 2-Phenethyl butanoate; Benzylcarbinyl butyrate; 2-Phenylethyl butyrate; Phenethyl butanoate; BUTYRIC ACID, PHENETHYL ESTER; beta-Phenethyl n-butanoate; FEMA No. 2861; DTXSID6047604; MFCD00048718; .beta.-Phenylethyl butyrate; 02E08ZN98R
| Regulatory & Food Contact | 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 notification summary | 100% (1538 / 1538) |
| GHS notification summary | 100% (1538 / 1538) |
|---|
This chemical does not meet GHS hazard criteria for 100% (1538 of 1538) of all reports.
Reported as not meeting GHS hazard criteria by 1538 of 1538 companies. For more detailed information, please visit ECHA C&L website.
Phenethyl butyrate is identified by CAS 103-52-6, molecular formula C12H16O2 and molecular weight 192.12 g/mol. UNII 02E08ZN98R; ChEBI 87413; InChIKey WFNDDSQUKATKNX-UHFFFAOYSA-N. Boiling Point: 238.00 °C. @ 760.00 mm Hg; Boiling Point: 238 °C; Density: 0.991-0.994.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丁酸苯乙酯