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Allyl n-Valerate · CAS 6321-45-5 · C8H14O2. UNII YZV641464H. Boiling Point: 164.00 to 165.00 °C. @ 760.00 mm Hg.
| CAS Registry Number | 6321-45-5 |
|---|---|
| PubChem CID | 80606 |
| Molecular formula | C8H14O2 |
| IUPAC name | prop-2-enyl pentanoate |
| UNII (FDA) | YZV641464H |
| FEMA number | 4074 |
| Molecular Weight | 142.20 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 142.099379685 |
| Monoisotopic Mass | 142.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Boiling Point | 164.00 to 165.00 °C. @ 760.00 mm Hg |
|---|
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents |
|---|
| Reported hazard statements | H301, H311 |
|---|
H301: Toxic if swallowed [Danger Acute toxicity, oral]
H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
Allyl valerate; Allyl pentanoate; prop-2-enyl pentanoate; prop-2-en-1-yl pentanoate; Pentanoic acid, 2-propenyl ester; Valeric acid allyl ester; YZV641464H; EINECS 228-675-9; NSC-32631; ALLYL VALERATE [FHFI]; FEMA NO. 4074; DTXSID70212577; NSC 32631; PENTANOIC ACID 2-PROPENYL ESTER; RefChem:554892; DTXCID00135068
CAS 6321-45-5; molecular formula C8H14O2; molecular weight — g/mol.
Allyl valerate, Allyl pentanoate, prop-2-enyl pentanoate, prop-2-en-1-yl pentanoate, Pentanoic acid, 2-propenyl ester, Valeric acid allyl ester.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H301, H311.
Boiling Point: 164.00 to 165.00 °C. @ 760.00 mm Hg.
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.