octyl isobutyrate (CAS 109-15-9) — formula C12H24O2, molecular weight 200.18 g/mol; category organic chemicals.
| CAS Number | 109-15-9 |
|---|---|
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.18 g/mol |
| Boiling Point | 236.00 to 238.00 °C. @ 760.00 mm Hg |
| LogP | 4.5 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, octyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, octyl ester: ACTIVE.
octyl isobutyrate is a carbon-based organic compound with CAS registry number 109-15-9 and molecular formula C12H24O2 (molecular weight 200.18 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 109-15-9
Its molecular formula C12H24O2 comprises 12 C, 24 H, 2 O atoms.
Also known as: octyl isobutyrate · 异丁酸辛酯
Category: organic chemicals
The CAS registry number of octyl isobutyrate is 109-15-9.
Molecular formula C12H24O2, molecular weight 200.18 g/mol.
It is also registered under: octyl isobutyrate, 异丁酸辛酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Propanoic acid, 2-methyl-, octyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for octyl isobutyrate (CAS 109-15-9), compiled from public chemistry databases.
| CAS 号 | 109-15-9 |
|---|---|
| PubChem CID | 61024 |
| 分子式 | C12H24O2 |
| 分子量 | 200.18 g/mol |
| IUPAC 名称 | octyl 2-methylpropanoate |
| InChIKey | PQCYCHFQWMNQRJ-UHFFFAOYSA-N |
| UNII（FDA） | T5819VWJ3T |
| ChEBI 编号 | CHEBI:179746 |
| FEMA 编号 | 2808 |
| JECFA 编号 | 192 |
| Molecular Weight | 200.32 |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 200.177630004 |
| Monoisotopic Mass | 200.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 236.00 to 238.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 245 °C |
| Density | 0.853-0.858 |
| Refractive Index | 1.420-1.425 |
Octyl isobutyrate; Octyl 2-methylpropanoate; Caprylyl isobutyrate; Isobutyric acid, octyl ester; n-Octyl isobutyrate; PROPANOIC ACID, 2-METHYL-, OCTYL ESTER; Octyl isobutanoate; Acetyl 2-methylpropanoate; FEMA No. 2808; ENT 24265; EINECS 203-651-0; UNII-T5819VWJ3T; NSC 72024; n-Octyl iso-butyrate; T5819VWJ3T; Propanoic acid, 2-methyl-, acetyl ester
| 法规与食品接触 | 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 通报统计 | 100% (138 / 138) |
| GHS 通报统计 | 100% (138 / 138) |
|---|
异丁酸辛酯 的 CAS 号为 109-15-9，分子式 C12H24O2，分子量 200.18 g/mol。 UNII T5819VWJ3T; ChEBI 179746; InChIKey PQCYCHFQWMNQRJ-UHFFFAOYSA-N. Boiling Point: 236.00 to 238.00 °C. @ 760.00 mm Hg; Boiling Point: 245 °C; Density: 0.853-0.858.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异丁酸辛酯