S-methyl 3-methylbutanethioate (CAS No. 23747-45-7) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Organic Chemicals；Flavors. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
Organic Chemicals；Flavors
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The CAS number of S-methyl 3-methylbutanethioate is 23747-45-7.
Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.
Main applications include Organic Chemicals；Flavors.
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S-methyl 3-methylbutanethioate is identified by CAS 23747-45-7, molecular formula C6H12OS and molecular weight 132.06 g/mol. UNII UB23WZ59H0; ChEBI 89436; InChIKey MPLWTJZAFOVXKP-UHFFFAOYSA-N. Boiling Point: 157.00 to 158.00 °C. @ 760.00 mm Hg; Boiling Point: 157 °C; Density: 0.935-0.940.
| CAS Registry Number | 23747-45-7 |
|---|---|
| PubChem CID | 90246 |
| Molecular formula | C6H12OS |
| Molecular weight | 132.06 g/mol |
| IUPAC name | S-methyl 3-methylbutanethioate |
| InChIKey | MPLWTJZAFOVXKP-UHFFFAOYSA-N |
| UNII (FDA) | UB23WZ59H0 |
| ChEBI ID | CHEBI:89436 |
| FEMA number | 3864 |
| JECFA number | 487 |
| Molecular Weight | 132.23 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 132.06088618 |
| Monoisotopic Mass | 132.06088618 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Boiling Point | 157.00 to 158.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 157 °C |
| Density | 0.935-0.940 |
| Refractive Index | 1.455-1.461 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning 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)
S-Methyl 3-methylbutanethioate; 23747-45-7; s-methyl thioisovalerate; Butanethioic acid, 3-methyl-, S-methyl ester; Methanethiol isovalerate; S-Methyl 3-methylthiobutyrate; UNII-UB23WZ59H0; UB23WZ59H0; EINECS 245-863-6; METHYLTHIOL ISOVALERATE; DTXSID3066928; FEMA NO. 3864; 3-METHYL-1-(METHYLSULFANYL)BUTAN-1-ONE; S-METHYL 3-METHYLBUTANETHIOATE [FHFI]; BUTYRIC ACID, 3-METHYLTHIO-, S-METHYL ESTER; RefChem:180678
CAS 23747-45-7; molecular formula C6H12OS; molecular weight 132.06 g/mol.
S-Methyl 3-methylbutanethioate, 23747-45-7, s-methyl thioisovalerate, Butanethioic acid, 3-methyl-, S-methyl ester, Methanethiol isovalerate, S-Methyl 3-methylthiobutyrate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H226.
Boiling Point: 157.00 to 158.00 °C. @ 760.00 mm Hg; Boiling Point: 157 °C; Density: 0.935-0.940; Refractive Index: 1.455-1.461.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.