Methyl 3-hexenoate (CAS 2396-78-3) — formula C7H12O2, molecular weight 128.08 g/mol.
Methyl 3-hexenoate is a chemical compound with CAS registry number 2396-78-3 and molecular formula C7H12O2 (molecular weight 128.08 g/mol).
CAS number: 2396-78-3
Its molecular formula C7H12O2 comprises 7 C, 12 H, 2 O atoms.
Also known as: Methyl 3-hexenoate · methyl trans-3-hexenoate
The CAS registry number of Methyl 3-hexenoate is 2396-78-3.
Molecular formula C7H12O2, molecular weight 128.08 g/mol.
It is also registered under: Methyl 3-hexenoate, methyl trans-3-hexenoate.
Public-database records for Methyl 3-hexenoate (CAS 2396-78-3), reproduced here for independent cross-checking.
| Reported hazard statements | H226 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, 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 |
|---|
| 沸点 | 156 °C |
|---|---|
| 密度 | 0.912-0.922 (20 °C) |
| 折射率 | 1.422-1.428 |
| CAS Registry Number | 2396-78-3 |
|---|---|
| PubChem CID | 61311 |
| 分子式 | C7H12O2 |
| 分子量 | 128.08 g/mol |
| IUPAC 名称 | methyl hex-3-enoate |
| InChIKey | XEAIHUDTEINXFG-UHFFFAOYSA-N |
| UNII（FDA） | 5B8F9YC2ZN |
| FEMA 编号 | 3364 |
| JECFA 编号 | 334 |
METHYL 3-HEXENOATE; DTXSID7062376; RefChem:1089412; DTXCID0036976; 219-256-1; 2396-78-3; 3-Hexenoic acid, methyl ester; 5B8F9YC2ZN; FEMA No. 3364; Methyl hex-3-enoate; 3-Hexenoic acid methyl ester; SCHEMBL872828; SCHEMBL6973325; SCHEMBL16288122; NS00021904
| 分子量 | 128.17 |
|---|---|
| XLogP3 | 1.5 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 4 |
| 精确质量 | 128.083729621 |
| 单同位素质量 | 128.083729621 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
Methyl 3-hexenoate is identified by CAS 2396-78-3, molecular formula C7H12O2 and molecular weight 128.08 g/mol. UNII 5B8F9YC2ZN; InChIKey XEAIHUDTEINXFG-UHFFFAOYSA-N. 沸点: 156 °C; 密度: 0.912-0.922 (20 °C); Refractive Index: 1.422-1.428.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.