Allyl acetic acid (CAS No. 591-80-0) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Flavors. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
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The CAS number of Allyl acetic acid is 591-80-0.
Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.
Main applications include Flavors.
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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).
| 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 |
| Formal Charge | 0 |
| Boiling Point | 188-189 °C |
|---|---|
| Melting Point | -22.5 °C |
| Density | 0.970-0.990 (20 °C) |
| Refractive Index | 1.425-1.431 |
| 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]
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
CAS 591-80-0; molecular formula C5H8O2; molecular weight 100.05 g/mol.
4-PENTENOIC ACID, Pent-4-enoic acid, 591-80-0, Allylacetic acid, Allyl acetic acid, FEMA No. 2843.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H302, H314, H318.
Boiling Point: 188-189 °C; Melting Point: -22.5 °C; Density: 0.970-0.990 (20 °C); Refractive Index: 1.425-1.431.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.