Butyl 3-mercaptopropionate is a versatile comopund used as a reactant for thiol-yne photopolymerizations to form highly-cross-linked networks. It is also used in the formation of self-assembled monolayers (SAMs).
| Pubchem Sid | 488186313 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186313 |
| Canonical Smiles | CCCCOC(=O)CCS |
| IUPAC Name | butyl 3-sulfanylpropanoate |
| InChIKey | MGFFVSDRCRVHLC-UHFFFAOYSA-N |
| INCHI | 1S/C7H14O2S/c1-2-3-5-9-7(8)4-6-10/h10H,2-6H2,1H3 |
| Isomeric SMILES | CCCCOC(=O)CCS |
| UN Number | 3334 |
| Packing Group | III |
| Molecular Weight | 162.25 |
| Reaxy-Rn | 1904067 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904067&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acid esters |
| Alternative Parents | Monocarboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carboxylic acid ester - Monocarboxylic acid or derivatives - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2602030 | Certificate of Analysis | Apr 07, 2026 | B340486 |
| E2607127 | Certificate of Analysis | Apr 07, 2026 | B340486 |
| I2208577 | Certificate of Analysis | Jun 10, 2025 | B340486 |
| I2208583 | Certificate of Analysis | Jun 10, 2025 | B340486 |
| I2208585 | Certificate of Analysis | Jun 10, 2025 | B340486 |
| I2208586 | Certificate of Analysis | Jun 10, 2025 | B340486 |
| D2419040 | Certificate of Analysis | Jul 12, 2022 | B340486 |
| K2408127 | Certificate of Analysis | Jul 12, 2022 | B340486 |
| K2414088 | Certificate of Analysis | Jul 12, 2022 | B340486 |
| Refractive Index | 1.457 |
|---|---|
| Boil Point(°C) | 101° C at 12 mmHg |
| Molecular Weight | 162.250 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 162.071 Da |
| Monoisotopic Mass | 162.071 Da |
| Topological Polar Surface Area | 27.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 93.600 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
