PROPYL CAPROATE (CAS 626-77-7) — formula C9H18O2, molecular weight 158.24; category organic chemicals.
PROPYL CAPROATE is a carbon-based organic compound with CAS registry number 626-77-7 and molecular formula C9H18O2 (molecular weight 158.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 626-77-7
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: PROPYL CAPROATE · caproic acid propyl ester grade I
Category: organic chemicals
The CAS registry number of PROPYL CAPROATE is 626-77-7.
Molecular formula C9H18O2, molecular weight 158.24.
It is also registered under: PROPYL CAPROATE, caproic acid propyl ester grade I.
Category: Organic Chemicals.
Public-database records for PROPYL CAPROATE (CAS 626-77-7), reproduced here for independent cross-checking.
| 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]
| 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) |
| 沸点 | 184.00 to 187.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 187 °C |
| 熔点 | -69 °C |
| 密度 | 0.865-0.871 |
| 折射率 | 1.409-1.413 |
| CAS Registry Number | 626-77-7 |
|---|---|
| PubChem CID | 12293 |
| 分子式 | C9H18O2 |
| IUPAC 名称 | propyl hexanoate |
| UNII（FDA） | 30A840S94U |
| FEMA 编号 | 2949 |
| JECFA 编号 | 161 |
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
| 分子量 | 158.24 |
|---|---|
| XLogP3 | 2.9 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 7 |
| 精确质量 | 158.130679813 |
| 单同位素质量 | 158.130679813 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
PROPYL CAPROATE · CAS 626-77-7 · C9H18O2. UNII 30A840S94U. 沸点: 184.00 to 187.00 °C. @ 760.00 mm Hg; 沸点: 187 °C; 熔点: -69 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.