4-[(2-Furylmethyl)sulfanyl]-4-methyl-2-pentanone

Basic Information

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CAS Number

64835-96-7

Molecular Formula

C11H16O2S

Molecular Weight

212.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC(=O)CC(C)(C)SCC1=CC=CO1

InChI

InChI=1S/C11H16O2S/c1-9(12)7-11(2,3)14-8-10-5-4-6-13-10/h4-6H,7-8H2,1-3H3

InChIKey

NTTNPAOBBWQSPN-UHFFFAOYSA-N

LogP

3.270500000000002

Topological Polar Surface Area

30.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

202

Synonyms & References

English

4-[(2-FURYLMETHYL)THIO]-4-METHYLPENTAN-2-ONE
NS00056682
?4-((2-Furylmethyl)thio)-4-methylpentan-2-one
64835-96-7
4-((2-Furylmethyl)thio)-4-methylpentan-2-one
BS-52194
SCHEMBL11393342
FT-0659792
4-Methyl-4-Furfurythio-2-Pentanone
DTXSID50867100
A834893
MFCD07787593
4-(furfurylthio)-4-methyl-2-pentanone
Q-100742
4-{[(Furan-2-yl)methyl]sulfanyl}-4-methylpentan-2-one
AKOS015897605
4-(furan-2-ylmethylsulfanyl)-4-methylpentan-2-one
2-Pentanone, 4-((2-furanylmethyl)thio)-4-methyl-
2-Pentanone, 4-[(2-furanylmethyl)thio]-4-methyl-
E79242
EINECS 265-249-1
4-[(2-furylmethyl)thio]-4-methylpentan-2-one
4-FURFURYLTHIO-4-METHYL-2-PENTANONE
AC1MI4XV
CTK2F3121
KSC353C2D
MolPort-006-133-455

MDL Number

MFCD07787593

FAQ

What regulatory guidelines apply to 4-[(2-Furylmethyl)sulfanyl]-4-methyl-2-pentanone (CAS: 64835-96-7)?

4-[(2-Furylmethyl)sulfanyl]-4-methyl-2-pentanone (CAS: 64835-96-7) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for classification and labeling. It is also subject to the European Union's Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations. For FDA and EPA related requirements, it’s important to consult the latest guidelines as they can vary based on specific applications and usage.

Are there alternatives to 4-[(2-Furylmethyl)sulfanyl]-4-methyl-2-pentanone (CAS: 64835-96-7) in synthesis?

There are alternative reagents that can be used in synthesis, such as 4-(2-furyl)-4-methyl-2-pentanone or other furan derivatives. These can serve as effective alternatives depending on the specific application and desired properties. Care should be taken to ensure the chosen alternative meets the required specifications and safety standards.

What is the market or research trend for 4-[(2-Furylmethyl)sulfanyl]-4-methyl-2-pentanone (CAS: 64835-96-7)?

The market for 4-[(2-Furylmethyl)sulfanyl]-4-methyl-2-pentanone (CAS: 64835-96-7) is steadily growing due to its use in various industrial applications, including pharmaceuticals and agrochemicals. Research trends are focusing on its potential as a precursor in organic synthesis and the development of new derivatives with improved properties. Market demand is also influenced by ongoing innovations in synthetic methodologies and environmental regulations.

How should waste containing 4-[(2-Furylmethyl)sulfanyl]-4-methyl-2-pentanone (CAS: 64835-96-7) be handled?

Waste containing 4-[(2-Furylmethyl)sulfanyl]-4-methyl-2-pentanone (CAS: 64835-96-7) should be collected and disposed of in accordance with local and regulatory guidelines. Typically, this involves proper incineration or professional waste disposal services. Environmental precautions should include the use of appropriate containment to prevent leaks and ensure worker safety during handling and disposal processes.