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Home › Product Catalog › 4-(Methylthio)-4-methyl-2-pentanone

4-(Methylthio)-4-methyl-2-pentanone

CAS 23550-40-5C7H14OSMW 146.25

4-(Methylthio)-4-methyl-2-pentanone (CAS 23550-40-5) — formula C7H14OS, molecular weight 146.25; category organic chemicals.

Product Overview

CAS Number23550-40-5
Molecular FormulaC7H14OS
Molecular Weight146.25
Boiling Point78.00 °C. @ 15.00 mm Hg
LogP1.1
CategoryOrganic Chemicals

Technical Profile

What this product is

4-(Methylthio)-4-methyl-2-pentanone is a carbon-based organic compound with CAS registry number 23550-40-5 and molecular formula C7H14OS (molecular weight 146.25), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 23550-40-5

Its molecular formula C7H14OS comprises 7 C, 14 H, 1 O, 1 S atoms.

Also known as: 4-(Methylthio)-4-methyl-2-pentanone · 4-(甲硫基)-4-甲基-2-戊酮 · 4-Methyl-4-(methylthio)pentan-2-one

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 4-(Methylthio)-4-methyl-2-pentanone?

The CAS registry number of 4-(Methylthio)-4-methyl-2-pentanone is 23550-40-5.

What is the molecular formula and molecular weight of 4-(Methylthio)-4-methyl-2-pentanone?

Molecular formula C7H14OS, molecular weight 146.25.

What other names is 4-(Methylthio)-4-methyl-2-pentanone known by?

It is also registered under: 4-(Methylthio)-4-methyl-2-pentanone, 4-(甲硫基)-4-甲基-2-戊酮, 4-Methyl-4-(methylthio)pentan-2-one.

Which category does 4-(Methylthio)-4-methyl-2-pentanone belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 4-(Methylthio)-4-methyl-2-pentanone (CAS 23550-40-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number23550-40-5
PubChem CID4682590
Molecular formulaC7H14OS
IUPAC name4-methyl-4-methylsulfanylpentan-2-one
UNII (FDA)G69HK72Q3Y
FEMA number3376
JECFA number500

Computed descriptors

Molecular Weight146.25
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass146.07653624
Monoisotopic Mass146.07653624
Topological Polar Surface Area42.4
Heavy Atom Count9

Physicochemical values on record

Boiling Point78.00 °C. @ 15.00 mm Hg
Boiling Point84 °C (12 mm Hg); 78 °C (15 mm Hg)
Density0.964
Refractive Index1.475-1.485

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    23550-40-5; 4-Methylthio-4-methyl-2-pentanone; 2-Pentanone, 4-methyl-4-(methylthio)-; 4-Methyl-4-(methylthio)-2-pentanone; 4-Methyl-4-(methylthio)pentan-2-one; cassis pentanone; FEMA No. 3376; 4-(Methylthio)-4-methyl-2-pentanone; 4-methyl-4-(methylsulfanyl)pentan-2-one; EINECS 245-727-6; G69HK72Q3Y; 4-Methylmercapto-4-methylpentan-2-one; DTXSID0066905; 4-METHYLTHIO-4-METHYL-2-PENTANONE [FHFI]; RefChem:525292; DTXCID5036894

    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
    Green
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary90.2% (110 / 122)

    GHS hazard classification

    GHS notification summary90.2% (110 / 122)

    This chemical does not meet GHS hazard criteria for 90.2% (110 of 122) of all reports.

    Reported as not meeting GHS hazard criteria by 110 of 122 companies (only 9.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

    What the public record says

    4-Methyl-4-(methylthio)pentan-2-one · CAS 23550-40-5 · C7H14OS. UNII G69HK72Q3Y. Boiling Point: 78.00 °C. @ 15.00 mm Hg; Boiling Point: 84 °C (12 mm Hg); 78 °C (15 mm Hg); Density: 0.964.

    Physical description and handling notes

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

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 4-(甲硫基)-4-甲基-2-戊酮

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