S-methyl hexanethioate (CAS 20756-86-9) — formula C7H14OS, molecular weight 146.25; category organic chemicals.
| CAS Number | 20756-86-9 |
|---|---|
| Molecular Formula | C7H14OS |
| Molecular Weight | 146.25 |
| Boiling Point | 120.00 to 122.00 °C. @ 0.00 mm Hg |
| LogP | 2.6 |
| Applications | Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Hexanethioic acid, S-methyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Hexanethioic acid, S-methyl ester: ACTIVE.
S-methyl hexanethioate 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: S-methyl hexanethioate · 巯基己酸甲酯 · Methyl-6-Mercaptohexanoate
Category: organic chemicals
The CAS registry number of S-methyl hexanethioate is 20756-86-9.
Molecular formula C7H14OS, molecular weight 146.25.
It is also registered under: S-methyl hexanethioate, 巯基己酸甲酯, Methyl-6-Mercaptohexanoate.
Recorded applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Hexanethioic acid, S-methyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for S-methyl hexanethioate (CAS 20756-86-9), compiled from public chemistry databases.
| 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 |
| Molecular Weight | 146.25 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 146.07653624 |
| Monoisotopic Mass | 146.07653624 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 9 |
| Boiling Point | 120.00 to 122.00 °C. @ 0.00 mm Hg |
|---|---|
| Boiling Point | 118-121 °C (20 mm Hg) |
| Density | 0.829-0.834 |
| Refractive Index | 1.477-1.482 |
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
| 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) |
| 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%) |
巯基己酸甲酯 · CAS 20756-86-9 · C7H14OS. UNII MC7G128ACI. Boiling Point: 120.00 to 122.00 °C. @ 0.00 mm Hg; Boiling Point: 118-121 °C (20 mm Hg); Density: 0.829-0.834.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 巯基己酸甲酯