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PROPYL CAPROATE · CAS 626-77-7 · C9H18O2. UNII 30A840S94U. Boiling Point: 184.00 to 187.00 °C. @ 760.00 mm Hg; Boiling Point: 187 °C; Melting Point: -69 °C.
| CAS Registry Number | 626-77-7 |
|---|---|
| PubChem CID | 12293 |
| Molecular formula | C9H18O2 |
| IUPAC name | propyl hexanoate |
| UNII (FDA) | 30A840S94U |
| FEMA number | 2949 |
| JECFA number | 161 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Boiling Point | 184.00 to 187.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 187 °C |
| Melting Point | -69 °C |
| Density | 0.865-0.871 |
| Refractive Index | 1.409-1.413 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Berry, Fruit, Petrol, Pineapple, Roasted Garlic No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 55.8% (77 / 138) |
| GHS notification summary | 55.8% (77 / 138) |
|---|---|
| Reported hazard statements | H226 (42%) |
This chemical does not meet GHS hazard criteria for 55.8% (77 of 138) of all reports.
H226 (42%): Flammable liquid and vapor [Warning Flammable liquids]
PROPYL HEXANOATE; Propyl caproate; Hexanoic acid, propyl ester; FEMA No. 2949; Propyl hexanoate (natural); UNII-30A840S94U; EINECS 210-963-0; NSC 53784; NSC-53784; 30A840S94U; 1-PROPYL N-CAPROATE; AI3-06014; DTXSID3060823; CHEBI:87365; FEMA 2949; Propyl caproic acid
CAS 626-77-7; molecular formula C9H18O2; molecular weight — g/mol.
PROPYL HEXANOATE, Propyl caproate, Hexanoic acid, propyl ester, FEMA No. 2949, Propyl hexanoate (natural), UNII-30A840S94U.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
55.8% of GHS notifications report no hazard classification (77 of 138).
Boiling Point: 184.00 to 187.00 °C. @ 760.00 mm Hg; Boiling Point: 187 °C; Melting Point: -69 °C; Density: 0.865-0.871.
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.