3-Mercaptohexyl acetate (CAS 136954-20-6) — formula C8H16O2S, molecular weight 176.09 g/mol; category organic chemicals.
3-Mercaptohexyl acetate (CAS 136954-20-6) is a organic chemicals. Its molecular formula C8H16O2S comprises 8 C, 16 H, 2 O, 1 S atoms. Its molecular weight is about 176.09 g/mol. Reported physicochemical data: boiling point around 186.00 °C. @ 760.00 mm Hg, LogP about 2.1. 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 | 136954-20-6 |
|---|---|
| Molecular Formula | C8H16O2S |
| Molecular Weight | 176.09 g/mol |
| Boiling Point | 186.00 °C. @ 760.00 mm Hg |
| LogP | 2.1 |
| 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 acetate is a carbon-based organic compound with CAS registry number 136954-20-6 and molecular formula C8H16O2S (molecular weight 176.09 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 136954-20-6
Its molecular formula C8H16O2S comprises 8 C, 16 H, 2 O, 1 S atoms.
Also known as: 3-Mercaptohexyl acetate · 3-巯基己基乙酸酯
Category: organic chemicals / food flavors
The CAS registry number of 3-Mercaptohexyl acetate is 136954-20-6.
Molecular formula C8H16O2S, molecular weight 176.09 g/mol.
It is also registered under: 3-Mercaptohexyl acetate, 3-巯基己基乙酸酯.
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 acetate (CAS 136954-20-6), compiled from public chemistry databases.
| CAS Number | 136954-20-6 |
|---|---|
| PubChem CID | 518810 |
| Molecular Formula | C8H16O2S |
| Molecular Weight | 176.09 g/mol |
| IUPAC Name | 3-sulfanylhexyl acetate |
| InChIKey | JUCARGIKESIVLB-UHFFFAOYSA-N |
| UNII (FDA) | 2N346IQC0M |
| Molecular Weight | 176.28 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 176.08710092 |
| Monoisotopic Mass | 176.08710092 |
| Topological Polar Surface Area | 27.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 186.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 186 °C |
| Density | 0.991-0.996 |
| Refractive Index | 1.462-1.472 |
3-Mercaptohexyl acetate; 136954-20-6; 3-Sulfanylhexyl acetate; 1-Hexanol, 3-mercapto-, 1-acetate; 2N346IQC0M; CHEBI:77818; DTXSID50869866; FEMA NO. 3851, PURE-; RefChem:505303; FEMA NO. 3851; DTXCID40817770; 967LDJ3107; 439-850-6; 603-987-1; 3-thiohexyl acetate; 3-Thiohex-1-yl acetate
| Regulatory & food contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Black Currant, Box Tree, Grapefruit, Mango, Passion Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notifications | 92.8% (90 / 97) |
| GHS notifications | 92.8% (90 / 97) |
|---|
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-巯基己基乙酸酯