Butyl phenylacetate (CAS 122-43-0) — formula C12H16O2, molecular weight 192.12 g/mol; category organic chemicals.
| CAS Number | 122-43-0 |
|---|---|
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.12 g/mol |
| Boiling Point | 133.00 to 135.00 °C. @ 15.00 mm Hg |
| LogP | 3.2 |
| Applications | Fragrance Ingredients |
| Category | Organic Chemicals |
Documented applications: Fragrance Ingredients.
Butyl phenylacetate is a carbon-based organic compound with CAS registry number 122-43-0 and molecular formula C12H16O2 (molecular weight 192.12 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 122-43-0
Its molecular formula C12H16O2 comprises 12 C, 16 H, 2 O atoms.
Also known as: Butyl phenylacetate · 苯乙酸丁酯
Category: organic chemicals
The CAS registry number of Butyl phenylacetate is 122-43-0.
Molecular formula C12H16O2, molecular weight 192.12 g/mol.
It is also registered under: Butyl phenylacetate, 苯乙酸丁酯.
Recorded applications: Fragrance Ingredients.
Category: Organic Chemicals.
Independent reference data for Butyl phenylacetate (CAS 122-43-0), compiled from public chemistry databases.
| CAS Registry Number | 122-43-0 |
|---|---|
| PubChem CID | 31210 |
| Molecular formula | C12H16O2 |
| Molecular weight | 192.12 g/mol |
| IUPAC name | butyl 2-phenylacetate |
| InChIKey | LDOXTQYWWYXYSQ-UHFFFAOYSA-N |
| UNII (FDA) | TR6RZ109SI |
| ChEBI ID | CHEBI:179903 |
| FEMA number | 2209 |
| JECFA number | 1012 |
| Molecular Weight | 192.25 |
|---|---|
| XLogP3 | 3.2 |
| 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 | 133.00 to 135.00 °C. @ 15.00 mm Hg |
|---|---|
| Boiling Point | 258-260 °C |
| Density | 0.990-0.997 |
| Refractive Index | 1.486-1.493 |
Butyl phenylacetate; butyl 2-phenylacetate; Benzeneacetic acid, butyl ester; n-Butyl phenylacetate; Butyl benzene acetate; Butyl alpha-toluate; Butyl benzeneacetate; Butyl phenylethanoate; Phenylethanoic acid butyl ester; ACETIC ACID, PHENYL-, BUTYL ESTER; FEMA No. 2209; UNII-TR6RZ109SI; EINECS 204-543-6; TR6RZ109SI; BRN 2046682; AI3-02942
| 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 | 69.2% (90 / 130) |
| GHS notification summary | 69.2% (90 / 130) |
|---|---|
| Reported hazard statements | H315 (30.8%), H319 (30.8%), H332 (30.8%), H335 (30.8%) |
This chemical does not meet GHS hazard criteria for 69.2% (90 of 130) of all reports.
H315 (30.8%): Causes skin irritation [Warning Skin corrosion/irritation]
Butyl phenylacetate is identified by CAS 122-43-0, molecular formula C12H16O2 and molecular weight 192.12 g/mol. UNII TR6RZ109SI; ChEBI 179903; InChIKey LDOXTQYWWYXYSQ-UHFFFAOYSA-N. Boiling Point: 133.00 to 135.00 °C. @ 15.00 mm Hg; Boiling Point: 258-260 °C; Density: 0.990-0.997.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯乙酸丁酯