3-Mercaptohexyl hexanoate (CAS 136954-22-8) — formula C12H24O2S, molecular weight 232.15 g/mol; category organic chemicals.
3-Mercaptohexyl hexanoate (CAS 136954-22-8) is a organic chemicals. Its molecular formula C12H24O2S comprises 12 C, 24 H, 2 O, 1 S atoms. Its molecular weight is about 232.15 g/mol. Reported physicochemical data: boiling point around 280 °C, LogP about 4. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 136954-22-8 |
|---|---|
| Molecular Formula | C12H24O2S |
| Molecular Weight | 232.15 g/mol |
| Boiling Point | 280 °C |
| LogP | 4 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Organic Chemicals|Flavors |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
3-Mercaptohexyl hexanoate is a carbon-based organic compound with CAS registry number 136954-22-8 and molecular formula C12H24O2S (molecular weight 232.15 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 136954-22-8
Its molecular formula C12H24O2S comprises 12 C, 24 H, 2 O, 1 S atoms.
Also known as: 3-Mercaptohexyl hexanoate · 3-巯基己醇己酸酯
Category: organic chemicals / food flavors
The CAS registry number of 3-Mercaptohexyl hexanoate is 136954-22-8.
Molecular formula C12H24O2S, molecular weight 232.15 g/mol.
It is also registered under: 3-Mercaptohexyl hexanoate, 3-巯基己醇己酸酯.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Organic Chemicals / Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 3-Mercaptohexyl hexanoate (CAS 136954-22-8), compiled from public chemistry databases.
| 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 |
| Boiling Point | 280 °C |
|---|---|
| Density | 0.943-0.948 |
| Refractive Index | 1.4595-1.4695 |
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
| 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 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-巯基己醇己酸酯