3-Methyl-2-butanethiol (CAS 2084-18-6) — formula C5H12S, molecular weight 104.07 g/mol; category organic chemicals.
3-Methyl-2-butanethiol (CAS 2084-18-6) is a organic chemicals. Its molecular formula C5H12S comprises 5 C, 12 H, 1 S atoms. Its molecular weight is about 104.07 g/mol. Reported physicochemical data: boiling point around 117.00 to 118.00 °C. @ 760.00 mm Hg, LogP about 2.3. 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 | 2084-18-6 |
|---|---|
| Molecular Formula | C5H12S |
| Molecular Weight | 104.07 g/mol |
| Boiling Point | 117.00 to 118.00 °C. @ 760.00 mm Hg |
| LogP | 2.3 |
| 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-Methyl-2-butanethiol is a carbon-based organic compound with CAS registry number 2084-18-6 and molecular formula C5H12S (molecular weight 104.07 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2084-18-6
Its molecular formula C5H12S comprises 5 C, 12 H, 1 S atoms.
Also known as: 3-Methyl-2-butanethiol · 3-甲基-2-丁硫醇
Category: organic chemicals / food flavors
The CAS registry number of 3-Methyl-2-butanethiol is 2084-18-6.
Molecular formula C5H12S, molecular weight 104.07 g/mol.
It is also registered under: 3-Methyl-2-butanethiol, 3-甲基-2-丁硫醇.
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 3-Methyl-2-butanethiol (CAS 2084-18-6), compiled from public chemistry databases.
| CAS Registry Number | 2084-18-6 |
|---|---|
| PubChem CID | 519823 |
| Molecular formula | C5H12S |
| Molecular weight | 104.07 g/mol |
| IUPAC name | 3-methylbutane-2-thiol |
| InChIKey | BFLXFRNPNMTTAA-UHFFFAOYSA-N |
| UNII (FDA) | JE3PR84J0B |
| ChEBI ID | CHEBI:173327 |
| FEMA number | 3304 |
| JECFA number | 517 |
| Molecular Weight | 104.22 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 104.06597156 |
| Monoisotopic Mass | 104.06597156 |
| Topological Polar Surface Area | 1 |
| Heavy Atom Count | 6 |
| Boiling Point | 117.00 to 118.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 117-118 °C |
| Density | 0.835-0.841 |
| Refractive Index | 1.442-1.452 |
3-Methyl-2-butanethiol; 3-Methylbutane-2-thiol; 2-Butanethiol, 3-methyl-; FEMA No. 3304; 3-methyl-2-butane thiol; 3-Methyl-2-butylthiol; UNII-JE3PR84J0B; EINECS 218-223-9; JE3PR84J0B; DTXSID40862826; RefChem:94729; DTXCID10811543; (+-)-3-METHYL-2-BUTANETHIOL; BFLXFRNPNMTTAA-UHFFFAOYSA-N; 2084-18-6; MFCD00039648
| 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 |
|---|
| Reported hazard statements | H225 (100%) |
|---|
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
3-Methyl-2-butanethiol is identified by CAS 2084-18-6, molecular formula C5H12S and molecular weight 104.07 g/mol. UNII JE3PR84J0B; ChEBI 173327; InChIKey BFLXFRNPNMTTAA-UHFFFAOYSA-N. Boiling Point: 117.00 to 118.00 °C. @ 760.00 mm Hg; Boiling Point: 117-118 °C; Density: 0.835-0.841.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲基-2-丁硫醇