octyl butyrate (CAS 110-39-4) — formula C12H24O2, molecular weight 200.18 g/mol; category organic chemicals.
| CAS Number | 110-39-4 |
|---|---|
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.18 g/mol |
| Melting Point | -55.6 °C |
| Boiling Point | 224.00 to 226.00 °C. @ 760.00 mm Hg |
| LogP | 4.2 |
| Category | Organic Chemicals |
octyl butyrate is a carbon-based organic compound with CAS registry number 110-39-4 and molecular formula C12H24O2 (molecular weight 200.18 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 110-39-4
Its molecular formula C12H24O2 comprises 12 C, 24 H, 2 O atoms.
Also known as: octyl butyrate · 丁酸正辛酯
Category: organic chemicals
The CAS registry number of octyl butyrate is 110-39-4.
Molecular formula C12H24O2, molecular weight 200.18 g/mol.
It is also registered under: octyl butyrate, 丁酸正辛酯.
Category: Organic Chemicals.
Independent reference data for octyl butyrate (CAS 110-39-4), compiled from public chemistry databases.
| CAS Registry Number | 110-39-4 |
|---|---|
| PubChem CID | 61030 |
| Molecular formula | C12H24O2 |
| Molecular weight | 200.18 g/mol |
| IUPAC name | octyl butanoate |
| InChIKey | PWLNAUNEAKQYLH-UHFFFAOYSA-N |
| UNII (FDA) | 5YEU4O369L |
| ChEBI ID | CHEBI:89726 |
| FEMA number | 2807 |
| JECFA number | 155 |
| Molecular Weight | 200.32 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 200.177630004 |
| Monoisotopic Mass | 200.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 224.00 to 226.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 244 °C |
| Melting Point | -55.6 °C |
| Density | 0.8549 (30 °C) |
| Refractive Index | 1.421-1.434 |
Octyl butyrate; Octyl butanoate; BUTANOIC ACID, OCTYL ESTER; n-Octyl butyrate; Butyric acid, octyl ester; n-Octyl n-butyrate; n-Octyl butanoate; Octyl butyrate (natural); octylbutyrate; FEMA No. 2807; Caprylyl Butyrate; EINECS 203-762-4; UNII-5YEU4O369L; NSC-72032; 5YEU4O369L; AI3-24204
| 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 | 100% (240 / 240) |
| GHS notification summary | 100% (240 / 240) |
|---|
This chemical does not meet GHS hazard criteria for 100% (240 of 240) of all reports.
Reported as not meeting GHS hazard criteria by 240 of 240 companies. For more detailed information, please visit ECHA C&L website.
octyl butyrate is identified by CAS 110-39-4, molecular formula C12H24O2 and molecular weight 200.18 g/mol. UNII 5YEU4O369L; ChEBI 89726; InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N. Boiling Point: 224.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 244 °C; Melting Point: -55.6 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丁酸正辛酯