己酸甲硫基甲酯（CAS 74758-91-1）：分子式 C8H16O2S、分子量 176.28。
| CAS号 | 74758-91-1 |
|---|---|
| 分子式 | C8H16O2S |
| 分子量 | 176.28 |
| 沸点 | 223.00 to 224.00 °C. @ 760.00 mm Hg |
| LogP | 2.8 |
己酸甲硫基甲酯 是一种化工化合物，登记 CAS 号为 74758-91-1，分子式 C8H16O2S（分子量 176.28）。
登记 CAS 号：74758-91-1
其分子式 C8H16O2S 由 8 个碳、16 个氢、2 个氧、1 个硫 组成。
别名/同义词：己酸甲硫基甲酯 · Methylthiomethyl hexanoate
己酸甲硫基甲酯 的 CAS 登记号为 74758-91-1。
分子式 C8H16O2S，分子量 176.28。
别名/同义词：己酸甲硫基甲酯、Methylthiomethyl hexanoate。
己酸甲硫基甲酯（CAS 74758-91-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 74758-91-1 |
|---|---|
| PubChem CID | 173312 |
| Molecular formula | C8H16O2S |
| Molecular weight | 176.09 g/mol |
| IUPAC name | methylsulfanylmethyl hexanoate |
| InChIKey | NWSZEYNCLKNLMJ-UHFFFAOYSA-N |
| UNII (FDA) | 2VJ58GF47Z |
| ChEBI ID | CHEBI:168823 |
| FEMA number | 3880 |
| JECFA number | 479 |
| Molecular Weight | 176.28 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 176.08710092 |
| Monoisotopic Mass | 176.08710092 |
| Topological Polar Surface Area | 51.6 |
| Heavy Atom Count | 11 |
| Boiling Point | 223.00 to 224.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 133-135 °C (20 mm Hg) |
| Density | 0.890-0.895 |
| Refractive Index | 1.469-1.476 |
METHYLTHIOMETHYL HEXANOATE; (Methylthio)methyl hexanoate; (METHYLSULFANYL)METHYL HEXANOATE; Hexanoic acid, (methylthio)methyl ester; UNII-2VJ58GF47Z; 2VJ58GF47Z; EINECS 277-988-7; DTXSID3072795; FEMA NO. 3880; METHYLTHIOMETHYL HEXANOATE [FHFI]; RefChem:158337; DTXCID8047711; 74758-91-1; methylsulfanylmethyl hexanoate; Hexanoic acid,(methylthio)methyl ester; (methyl thio) methyl hexanoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (90 / 90) |
| GHS notification summary | 100% (90 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
Methylthiomethyl hexanoate is identified by CAS 74758-91-1, molecular formula C8H16O2S and molecular weight 176.09 g/mol. UNII 2VJ58GF47Z; ChEBI 168823; InChIKey NWSZEYNCLKNLMJ-UHFFFAOYSA-N. Boiling Point: 223.00 to 224.00 °C. @ 760.00 mm Hg; Boiling Point: 133-135 °C (20 mm Hg); Density: 0.890-0.895.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Methylthiomethyl hexanoate