Butyl hexanoate (CAS 626-82-4) — formula C10H20O2, molecular weight 172.15 g/mol.
Butyl hexanoate is a chemical compound with CAS registry number 626-82-4 and molecular formula C10H20O2 (molecular weight 172.15 g/mol).
CAS number: 626-82-4
Its molecular formula C10H20O2 comprises 10 C, 20 H, 2 O atoms.
Also known as: Butyl hexanoate · butyl caproate
The CAS registry number of Butyl hexanoate is 626-82-4.
Molecular formula C10H20O2, molecular weight 172.15 g/mol.
It is also registered under: Butyl hexanoate, butyl caproate.
Public-database records for Butyl hexanoate (CAS 626-82-4), reproduced here for independent cross-checking.
| GHS notification summary | 100% (141 / 141) |
|---|
This chemical does not meet GHS hazard criteria for 100% (141 of 141) of all reports.
Reported as not meeting GHS hazard criteria by 141 of 141 companies. For more detailed information, please visit ECHA C&L website.
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit, Grass, Green No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (141 / 141) |
| 沸点 | 208.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 208 °C |
| 熔点 | -68.4 °C |
| 密度 | 0.8623 |
| 折射率 | 1.414-1.417 |
| CAS Registry Number | 626-82-4 |
|---|---|
| PubChem CID | 12294 |
| 分子式 | C10H20O2 |
| 分子量 | 172.15 g/mol |
| IUPAC 名称 | butyl hexanoate |
| InChIKey | RPRPDTXKGSIXMD-UHFFFAOYSA-N |
| UNII（FDA） | EBK588Q27T |
| ChEBI 编号 | CHEBI:89561 |
| FEMA 编号 | 2201 |
| JECFA 编号 | 162 |
Butyl hexanoate; 626-82-4; Hexanoic acid, butyl ester; N-BUTYL HEXANOATE; FEMA No. 2201; NSC-4022; DTXSID8060824; CHEBI:89561; RefChem:1080385; DTXCID0043422; 210-964-6; Butyl caproate; Hexanoic Acid Butyl Ester; n-Caproic acid n-butyl ester; n-Butyl caproate; n-Butyl n-hexanoate
| 分子量 | 172.26 |
|---|---|
| XLogP3 | 3.3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 8 |
| 精确质量 | 172.146329876 |
| 单同位素质量 | 172.146329876 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
Butyl hexanoate is identified by CAS 626-82-4, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII EBK588Q27T; ChEBI 89561; InChIKey RPRPDTXKGSIXMD-UHFFFAOYSA-N. 沸点: 208.00 °C. @ 760.00 mm Hg; 沸点: 208 °C; 熔点: -68.4 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.