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Heptyl Butyrate is identified by CAS 5870-93-9, molecular formula C11H22O2 and molecular weight 186.16 g/mol. UNII 6YF38H29F1; ChEBI 179373; InChIKey JPQHLIYIQARLQM-UHFFFAOYSA-N. Boiling Point: 225.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 226 °C; Melting Point: -57.5 °C.
| CAS Registry Number | 5870-93-9 |
|---|---|
| PubChem CID | 62592 |
| Molecular formula | C11H22O2 |
| Molecular weight | 186.16 g/mol |
| IUPAC name | heptyl butanoate |
| InChIKey | JPQHLIYIQARLQM-UHFFFAOYSA-N |
| UNII (FDA) | 6YF38H29F1 |
| ChEBI ID | CHEBI:179373 |
| FEMA number | 2549 |
| JECFA number | 154 |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 186.161979940 |
| Monoisotopic Mass | 186.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Boiling Point | 225.00 to 226.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 226 °C |
| Melting Point | -57.5 °C |
| Density | 0.8555 (30 °C/30 °C) |
| Refractive Index | 1.4231 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 98.9% (91 / 92) |
| GHS notification summary | 98.9% (91 / 92) |
|---|
This chemical does not meet GHS hazard criteria for 98.9% (91 of 92) of all reports.
Reported as not meeting GHS hazard criteria by 91 of 92 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Heptyl butyrate; Heptyl butanoate; Butanoic acid, heptyl ester; Butyric acid, heptyl ester; n-Heptyl butanoate; n-Heptyl n-butyrate; FEMA No. 2549; DTXSID0042038; EINECS 227-526-5; UNII-6YF38H29F1; BRN 1760253; AI3-21505; 6YF38H29F1; HEPTYL BUTYRATE [FHFI]; DTXCID8022038; FEMA 2549
CAS 5870-93-9; molecular formula C11H22O2; molecular weight 186.16 g/mol.
Heptyl butyrate, Heptyl butanoate, Butanoic acid, heptyl ester, Butyric acid, heptyl ester, n-Heptyl butanoate, n-Heptyl n-butyrate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
98.9% of GHS notifications report no hazard classification (91 of 92).
Boiling Point: 225.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 226 °C; Melting Point: -57.5 °C; Density: 0.8555 (30 °C/30 °C).
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.