Methyl-6-Mercaptohexanoate (CAS 20756-86-9) — formula C7H14OS, molecular weight 146.25; category organic chemicals.
Methyl-6-Mercaptohexanoate is a carbon-based organic compound with CAS registry number 20756-86-9 and molecular formula C7H14OS (molecular weight 146.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 20756-86-9
Its molecular formula C7H14OS comprises 7 C, 14 H, 1 O, 1 S atoms.
Also known as: Methyl-6-Mercaptohexanoate · S-methyl hexanethioate
Category: organic chemicals
The CAS registry number of Methyl-6-Mercaptohexanoate is 20756-86-9.
Molecular formula C7H14OS, molecular weight 146.25.
It is also registered under: Methyl-6-Mercaptohexanoate, S-methyl hexanethioate.
Category: Organic Chemicals.
Public-database records for Methyl-6-Mercaptohexanoate (CAS 20756-86-9), reproduced here for independent cross-checking.
| GHS 通报统计 | 1.1% (1 / 93) |
|---|---|
| 已通报的危害声明 | H225 (84.9%), H226 (12.9%), H302 (97.8%), H315 (11.8%), H319 (11.8%) |
| 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 Cabbage, Fruit, Green, Onion, Sulfur No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 1.1% (1 / 93) |
| 沸点 | 120.00 to 122.00 °C. @ 0.00 mm Hg |
|---|---|
| 沸点 | 118-121 °C (20 mm Hg) |
| 密度 | 0.829-0.834 |
| 折射率 | 1.477-1.482 |
| CAS 号 | 20756-86-9 |
|---|---|
| PubChem CID | 75515 |
| 分子式 | C7H14OS |
| IUPAC 名称 | S-methyl hexanethioate |
| UNII（FDA） | MC7G128ACI |
| FEMA 编号 | 3862 |
| JECFA 编号 | 489 |
S-Methyl hexanethioate; S-Methyl thiohexanoate; Methanethiol caproate; Hexanethioic acid, S-methyl ester; UNII-MC7G128ACI; MC7G128ACI; EINECS 219-410-8; 1-(METHYLSULFANYL)HEXAN-1-ONE; DTXSID1062417; FEMA NO. 3862; S-METHYL HEXANETHIOATE [FHFI]; RefChem:180681; DTXCID6037061; 219-410-8; 20756-86-9; AKGAHYLJHAOPKQ-UHFFFAOYSA-N
| 分子量 | 146.25 |
|---|---|
| XLogP3 | 2.6 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 5 |
| 精确质量 | 146.07653624 |
| 单同位素质量 | 146.07653624 |
| 拓扑极性表面积 | 42.4 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
巯基己酸甲酯 · CAS 20756-86-9 · C7H14OS. UNII MC7G128ACI. 沸点: 120.00 to 122.00 °C. @ 0.00 mm Hg; 沸点: 118-121 °C (20 mm Hg); 密度: 0.829-0.834.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.