Allyl acetic acid (CAS 591-80-0) — formula C5H8O2, molecular weight 100.05 g/mol.
| CAS Number | 591-80-0 |
|---|---|
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.05 g/mol |
| Melting Point | -22.5 °C |
| Boiling Point | 188-189 °C |
| LogP | 0.8 |
Allyl acetic acid is a chemical compound with CAS registry number 591-80-0 and molecular formula C5H8O2 (molecular weight 100.05 g/mol).
CAS number: 591-80-0
Its molecular formula C5H8O2 comprises 5 C, 8 H, 2 O atoms.
Also known as: Allyl acetic acid · 4-戊烯酸
The CAS registry number of Allyl acetic acid is 591-80-0.
Molecular formula C5H8O2, molecular weight 100.05 g/mol.
It is also registered under: Allyl acetic acid, 4-戊烯酸.
Independent reference data for Allyl acetic acid (CAS 591-80-0), compiled from public chemistry databases.
| CAS Registry Number | 591-80-0 |
|---|---|
| PubChem CID | 61138 |
| Molecular formula | C5H8O2 |
| Molecular weight | 100.05 g/mol |
| IUPAC name | pent-4-enoic acid |
| InChIKey | HVAMZGADVCBITI-UHFFFAOYSA-N |
| UNII (FDA) | D4S77Y29FB |
| ChEBI ID | CHEBI:35936 |
| FEMA number | 2843 |
| JECFA number | 314 |
| Molecular Weight | 100.12 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 100.052429494 |
| Monoisotopic Mass | 100.052429494 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 7 |
| Boiling Point | 188-189 °C |
|---|---|
| Melting Point | -22.5 °C |
| Density | 0.970-0.990 (20 °C) |
| Refractive Index | 1.425-1.431 |
4-PENTENOIC ACID; Pent-4-enoic acid; 591-80-0; Allylacetic acid; Allyl acetic acid; FEMA No. 2843; DTXSID0044448; D4S77Y29FB; CHEBI:35936; NSC-9000; NSC-20944; DTXCID8024448; RefChem:526248; 209-732-7; 3-Vinylpropionic acid; 4 PA
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (100%), H314 (100%), H318 (87.4%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Allyl acetic acid is identified by CAS 591-80-0, molecular formula C5H8O2 and molecular weight 100.05 g/mol. UNII D4S77Y29FB; ChEBI 35936; InChIKey HVAMZGADVCBITI-UHFFFAOYSA-N. Boiling Point: 188-189 °C; Melting Point: -22.5 °C; Density: 0.970-0.990 (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-戊烯酸