3-巯基己醇己酸酯，CAS 登记号 136954-22-8，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精；有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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本页已列出 3-巯基己醇己酸酯 的 CAS 号：136954-22-8，可与随货 COA 核对。
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3-Mercaptohexyl hexanoate is identified by CAS 136954-22-8, molecular formula C12H24O2S and molecular weight 232.15 g/mol. UNII 023W2KD2VX; ChEBI 173672; InChIKey KVXKOWZLYWBURN-UHFFFAOYSA-N. Boiling Point: 280 °C; Density: 0.943-0.948; Refractive Index: 1.4595-1.4695.
| CAS Registry Number | 136954-22-8 |
|---|---|
| PubChem CID | 536987 |
| Molecular formula | C12H24O2S |
| Molecular weight | 232.15 g/mol |
| IUPAC name | 3-sulfanylhexyl hexanoate |
| InChIKey | KVXKOWZLYWBURN-UHFFFAOYSA-N |
| UNII (FDA) | 023W2KD2VX |
| ChEBI ID | CHEBI:173672 |
| FEMA number | 3853 |
| JECFA number | 556 |
| Molecular Weight | 232.38 |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 10 |
| Exact Mass | 232.14970118 |
| Monoisotopic Mass | 232.14970118 |
| Topological Polar Surface Area | 27.3 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Boiling Point | 280 °C |
|---|---|
| Density | 0.943-0.948 |
| Refractive Index | 1.4595-1.4695 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Black Currant, Grapefruit, Tropical Fruit 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.
3-Mercaptohexyl hexanoate; 136954-22-8; 3-Thiohexyl caproate; 3-Mercaptohexyl caproate; FEMA no. 3853; 3-Mercaptohexyl hexanoate [FHFI]; UNII-023W2KD2VX; Hexanoic acid, 3-mercaptohexyl ester; 023W2KD2VX; DTXSID70869868; RefChem:94546; DTXCID60817772; (+-)-3-MERCAPTOHEXYL HEXANOATE; 3-MERCAPTOHEXYL HEXANOATE, (+-)-; 603-989-2; KVXKOWZLYWBURN-UHFFFAOYSA-N
CAS 136954-22-8; molecular formula C12H24O2S; molecular weight 232.15 g/mol.
3-Mercaptohexyl hexanoate, 136954-22-8, 3-Thiohexyl caproate, 3-Mercaptohexyl caproate, FEMA no. 3853, 3-Mercaptohexyl hexanoate [FHFI].
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
100% of GHS notifications report no hazard classification (90 of 90).
Boiling Point: 280 °C; Density: 0.943-0.948; Refractive Index: 1.4595-1.4695.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.