2-Mercapto-3-butanol (CAS 54812-86-1) — formula C4H10OS, molecular weight 106.05 g/mol; category organic chemicals.
2-Mercapto-3-butanol (CAS 54812-86-1) is a organic chemicals. Its molecular formula C4H10OS comprises 4 C, 10 H, 1 O, 1 S atoms. Its molecular weight is about 106.05 g/mol. Reported physicochemical data: boiling point around 58-60 °C (10 mm Hg), LogP about 0.7. 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 | 54812-86-1 |
|---|---|
| Molecular Formula | C4H10OS |
| Molecular Weight | 106.05 g/mol |
| Boiling Point | 58-60 °C (10 mm Hg) |
| LogP | 0.7 |
| 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.
2-Mercapto-3-butanol is a carbon-based organic compound with CAS registry number 54812-86-1 and molecular formula C4H10OS (molecular weight 106.05 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 54812-86-1
Its molecular formula C4H10OS comprises 4 C, 10 H, 1 O, 1 S atoms.
Also known as: 2-Mercapto-3-butanol · 3-巯基-2-丁醇
Category: organic chemicals / food flavors
The CAS registry number of 2-Mercapto-3-butanol is 54812-86-1.
Molecular formula C4H10OS, molecular weight 106.05 g/mol.
It is also registered under: 2-Mercapto-3-butanol, 3-巯基-2-丁醇.
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 2-Mercapto-3-butanol (CAS 54812-86-1), compiled from public chemistry databases.
| CAS Registry Number | 54812-86-1 |
|---|---|
| PubChem CID | 62087 |
| Molecular formula | C4H10OS |
| Molecular weight | 106.05 g/mol |
| IUPAC name | 3-sulfanylbutan-2-ol |
| InChIKey | MJQWABQELVFQJL-UHFFFAOYSA-N |
| UNII (FDA) | NS00057689 |
| ChEBI ID | CHEBI:193944 |
| FEMA number | 3502 |
| JECFA number | 546 |
| Molecular Weight | 106.19 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 106.04523611 |
| Monoisotopic Mass | 106.04523611 |
| Topological Polar Surface Area | 21.2 |
| Heavy Atom Count | 6 |
| Boiling Point | 58-60 °C (10 mm Hg) |
|---|---|
| Density | 1.010-1.017 |
| Refractive Index | 1.476-1.485 |
3-Mercapto-2-butanol; 2-Mercapto-3-butanol; 2-Butanol, 3-mercapto-; 3-mercaptobutan-2-ol; 2-Hydroxy-3-butanethiol; 3-Hydroxy-2-butanethiol; RefChem:474017; 54812-86-1; 3-sulfanylbutan-2-ol; (2R,3S)-3-Mercaptobutan-2-ol; MFCD00010271; 3-sulanylbutan-2-ol; SCHEMBL152116; SCHEMBL6113492; SCHEMBL28247893; FEMA 3502
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
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2-Mercapto-3-butanol is identified by CAS 54812-86-1, molecular formula C4H10OS and molecular weight 106.05 g/mol. UNII NS00057689; ChEBI 193944; InChIKey MJQWABQELVFQJL-UHFFFAOYSA-N. Boiling Point: 58-60 °C (10 mm Hg); Density: 1.010-1.017; Refractive Index: 1.476-1.485.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-巯基-2-丁醇