phenyl butyrate (CAS 4346-18-3) — formula C10H12O2, molecular weight 164.20; category organic chemicals.
| CAS Number | 4346-18-3 |
|---|---|
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.20 |
| Boiling Point | 225.00 to 226.00 °C. @ 760.00 mm Hg |
| LogP | 2.7 |
| Category | Organic Chemicals |
phenyl butyrate is a carbon-based organic compound with CAS registry number 4346-18-3 and molecular formula C10H12O2 (molecular weight 164.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4346-18-3
Its molecular formula C10H12O2 comprises 10 C, 12 H, 2 O atoms.
Also known as: phenyl butyrate · 丁酸苯酯
Category: organic chemicals
The CAS registry number of phenyl butyrate is 4346-18-3.
Molecular formula C10H12O2, molecular weight 164.20.
It is also registered under: phenyl butyrate, 丁酸苯酯.
Category: Organic Chemicals.
Independent reference data for phenyl butyrate (CAS 4346-18-3), compiled from public chemistry databases.
| CAS Registry Number | 4346-18-3 |
|---|---|
| PubChem CID | 20354 |
| Molecular formula | C10H12O2 |
| IUPAC name | phenyl butanoate |
| UNII (FDA) | R9K49A127H |
| FEMA number | 4621 |
| JECFA number | 2019 |
| Molecular Weight | 164.20 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 164.083729621 |
| Monoisotopic Mass | 164.083729621 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 225.00 to 226.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 63-65 °C (3 mm Hg) |
| Density | 1.020-1.028 (20 °C) |
| Refractive Index | 1.448-1.494 |
phenyl butyrate; phenyl butanoate; 4346-18-3; Butanoic acid, phenyl ester; Butyric acid, phenyl ester; EINECS 224-405-9; UNII-R9K49A127H; AI3-11761; R9K49A127H; FEMA NO. 4621; DTXSID30195857; RefChem:172949; DTXCID70118348; 224-405-9; IGVPBCZDHMIOJH-UHFFFAOYSA-N; MFCD00083050
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Floral No safety concern at current levels of intake when used as a flavouring agent TRS 960-JECFA 73/114 |
|---|
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
phenyl butyrate · CAS 4346-18-3 · C10H12O2. UNII R9K49A127H. Boiling Point: 225.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 63-65 °C (3 mm Hg); Density: 1.020-1.028 (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丁酸苯酯