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Allyl Heptanoate · CAS 142-19-8 · C10H18O2. UNII AU4CYG9V68. Boiling Point: 210.00 to 212.00 °C. @ 760.00 mm Hg; Boiling Point: 210 °C; Solubility: 63 mg/L @ 20 °C (exp).
| CAS Registry Number | 142-19-8 |
|---|---|
| PubChem CID | 8878 |
| Molecular formula | C10H18O2 |
| IUPAC name | prop-2-enyl heptanoate |
| UNII (FDA) | AU4CYG9V68 |
| FEMA number | 2031 |
| JECFA number | 4 |
| Molecular Weight | 170.25 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 170.130679813 |
| Monoisotopic Mass | 170.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Boiling Point | 210.00 to 212.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 210 °C |
| Solubility | 63 mg/L @ 20 °C (exp) |
| Density | 0.880-0.885 |
| Refractive Index | 1.426-1.430 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Banana, Wine JECFA ADI: 0-0.15 mg/kg bw (1990) |
|---|
| Reported hazard statements | H301 (14.6%), H302, H312 (17.1%), H311 (79.9%), H315 (62.5%), H319 (74.7%), H373 (53.7%), H400 (58.9%) |
|---|
H301 (14.6%): Toxic if swallowed [Danger Acute toxicity, oral]
H302+H312 (17.1%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
Allyl heptanoate; Allyl heptylate; Allyl enanthate; 2-Propenyl heptanoate; Allyl heptoate; Prop-2-en-1-yl heptanoate; Heptanoic acid, 2-propenyl ester; HEPTANOIC ACID, ALLYL ESTER; Allylester kyseliny enanthove; FEMA No. 2031; Heptanoic acid, 2-propen-1-yl ester; Allyl n-heptanoate; Allyl heptanoate (natural); NSC 20969; DTXSID3044754; allyl oenanthate
CAS 142-19-8; molecular formula C10H18O2; molecular weight — g/mol.
Allyl heptanoate, Allyl heptylate, Allyl enanthate, 2-Propenyl heptanoate, Allyl heptoate, Prop-2-en-1-yl heptanoate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H301, H302, H312, H311, H315.
Boiling Point: 210.00 to 212.00 °C. @ 760.00 mm Hg; Boiling Point: 210 °C; Solubility: 63 mg/L @ 20 °C (exp); Density: 0.880-0.885.
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.