Molekula
3-Mercaptohexyl acetate
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ISO 9001:2015 & ISO 14001:2015 certified · Supplying laboratories and industry since 1999 · Certificate of Analysis with every batch
3-Mercaptohexyl acetate is a sulfur-containing ester used primarily as a flavoring agent and fragrance ingredient. It has the CAS number 136954-20-6, a molecular formula of C8H16O2S, and a molecular weight of 176.28. This product is stored at ambient temperatures and carries a warning signal word. Molekula supplies 3-Mercaptohexyl acetate from research to bulk quantities with full documentation and ISO 9001:2015 traceability.
This substance is available from Molekula on enquiry. Full specification, Safety Data Sheet and Certificate of Analysis documentation are provided with your quotation once our team confirms the grade and pack size you need.
Overview
- SKU
- 89981624
- CAS Number
- 136954-20-6
- IUPAC Name
- 3-sulfanylhexyl acetate
- Molecular Formula
- C8H16O2S
- Molecular Weight
- 176.28
- Exact Mass
- 176.0871
- SMILES
- CCCC(CCOC(=O)C)S
- InChIKey
- JUCARGIKESIVLB-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3
- PubChem CID
- 518810
Synonyms
- (S)-3-Mercaptohexyl acetate
- 1-Hexanol, 3-mercapto-, 1-acetate
- 3-mercapto-1-hexanol acetate
- 3-Sulfanylhexyl acetate
- 3-Thiohex-1-yl acetate
- 3-thiohexyl acetate
- Acetic Acid 3-Mercaptohexyl Ester
- FEMA NO. 3851
- FEMA NO. 3851, PURE-
- Hexane-3-thiol acetate
Literature values
Published physical properties of the substance, not batch specifications.
- Boiling Point
- 186 °C at 760 mmHg
- Solubility (other solvents)
- Insoluble in water; soluble in ethanol and heptane
Source: PubChem CID 518810 (Human Metabolome Database (HMDB), Joint FAO/WHO Expert Committee on Food Additives (JECFA))
Frequently asked questions
What is 3-Mercaptohexyl acetate used for?
3-Mercaptohexyl acetate is primarily used as a flavoring agent and fragrance ingredient due to its potent tropical fruit aroma.
What are the chemical formula and molecular weight of 3-Mercaptohexyl acetate?
The chemical formula is C8H16O2S and the molecular weight is 176.28 g/mol.
How should 3-Mercaptohexyl acetate be stored?
This product should be stored at ambient temperature.
Can Molekula supply 3-Mercaptohexyl acetate in bulk?
Yes, Molekula can supply this product in bulk quantities to meet your specific manufacturing requirements.
What documentation comes with the order?
Every order is supplied with a Certificate of Analysis (CoA) and a Safety Data Sheet (SDS).
What is the CAS number for 3-Mercaptohexyl acetate?
The CAS number for this compound is 136954-20-6.
Related products
Molekula has supplied fine chemicals and biochemicals since 1999, and its facilities are ISO 9001:2015 and ISO 14001:2015 certified. Every dispatched batch is logged with a batch number and matched to a Certificate of Analysis, and Safety Data Sheets are available in five languages.