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DL-3-(Methylthio)butanone

CAS 53475-15-3C5H10OSMW 118.20

DL-3-(Methylthio)butanone (CAS 53475-15-3) — formula C5H10OS, molecular weight 118.20; category organic chemicals.

Product Description

DL-3-(Methylthio)butanone (CAS 53475-15-3) is a chemical raw material in the organic chemicals category. Its molecular formula C5H10OS comprises 5 C, 10 H, 1 O, 1 S atoms. Its molecular weight is about 118.20. Reported physicochemical data: boiling point around 147.00 to 178.00 °C. @ 760.00 mm Hg, LogP about 1. 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.

Product Overview

CAS Number53475-15-3
Molecular FormulaC5H10OS
Molecular Weight118.20
Boiling Point147.00 to 178.00 °C. @ 760.00 mm Hg
LogP1
ApplicationsFlavouring Agent, Flavoring Agents
CategoryOrganic Chemicals

Applications

Documented applications: Flavouring Agent, Flavoring Agents.

Technical Profile

What this product is

DL-3-(Methylthio)butanone is a carbon-based organic compound with CAS registry number 53475-15-3 and molecular formula C5H10OS (molecular weight 118.20), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 53475-15-3

Its molecular formula C5H10OS comprises 5 C, 10 H, 1 O, 1 S atoms.

Also known as: DL-3-(Methylthio)butanone · 3-甲硫基-2-丁酮 · 3-Methylthio-2-butanone

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of DL-3-(Methylthio)butanone?

The CAS registry number of DL-3-(Methylthio)butanone is 53475-15-3.

What is the molecular formula and molecular weight of DL-3-(Methylthio)butanone?

Molecular formula C5H10OS, molecular weight 118.20.

What other names is DL-3-(Methylthio)butanone known by?

It is also registered under: DL-3-(Methylthio)butanone, 3-甲硫基-2-丁酮, 3-Methylthio-2-butanone.

What are the documented applications of DL-3-(Methylthio)butanone?

Recorded applications: Flavouring Agent, Flavoring Agents.

Which category does DL-3-(Methylthio)butanone belong to?

Category: Organic Chemicals.

Packaging & documentation

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.

PubChem Public Data

Independent reference data for DL-3-(Methylthio)butanone (CAS 53475-15-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number53475-15-3
PubChem CID103788
Molecular formulaC5H10OS
IUPAC name3-methylsulfanylbutan-2-one
UNII (FDA)9B48E0787W
FEMA number4181
JECFA number1688

Computed descriptors

Molecular Weight118.20
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass118.04523611
Monoisotopic Mass118.04523611
Topological Polar Surface Area42.4
Heavy Atom Count7

Physicochemical values on record

Boiling Point147.00 to 178.00 °C. @ 760.00 mm Hg
Boiling Point50-54 °C (20 mm Hg)
Density0.975-0.979
Refractive Index1.469-1.471

Documented uses on record

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index

Synonyms and trade names

3-Methylthio-2-butanone; 53475-15-3; 3-(Methylthio)-2-butanone; 2-Butanone, 3-(methylthio)-; DL-3-(Methylthio)butanone; 3-(methylsulfanyl)butan-2-one; EINECS 258-576-6; 9B48E0787W; dextro,laevo-3-(methyl thio) butanone; 3-(METHYLTHIO)BUTANONE; FEMA NO. 4181; DTXSID80866343; 3-(METHYLTHIO)-2-BUTANONE [FHFI]; RefChem:495590; DTXCID10814635; (+-)-3-(METHYLTHIO)-2-BUTANONE

Regulatory listings held on file

Regulatory & Food ContactEU 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

GHS hazard classification

Reported hazard statementsH226 (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)

What the public record says

3-Methylthio-2-butanone · CAS 53475-15-3 · C5H10OS. UNII 9B48E0787W. Boiling Point: 147.00 to 178.00 °C. @ 760.00 mm Hg; Boiling Point: 50-54 °C (20 mm Hg); Density: 0.975-0.979.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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