1-Phenyl-3-hexanone

Basic Information

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CAS Number

29898-25-7

Molecular Formula

C12H16O

Molecular Weight

176.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CCCC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3

InChIKey

CWWWHACKSNBBMU-UHFFFAOYSA-N

LogP

2.9884000000000013

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

145

Synonyms & References

English

29898-25-7
1-phenyl-hexan-3-one
MFCD00027144
CS-0152462
1-Phenyl-3-hexanone
A820100
EN300-83914
DTXSID40184010
EINECS 249-937-9
AKOS009392306
FT-0608241
SCHEMBL4077641
1-Phenylhexan-3-one
AM803654
J-505077
SY192902
AI3-21936
Z406377440
3-Hexanone, 1-phenyl-
W10347
DS-6353
1-Phenyl-hexan-3-one
13-Oxo-1-n-hexyl-benzol
1P3H
1-PHENYL-3-HEXANONE
1-Phenyl-hexan-3-on
1-PHENYLHEXANE-3-ONE
1-Phenylhexanone-3
3-Hexanone,1-phenyl
3-Oxo-1-phenyl-hexan
B-PHENYLETHYL PROPYL KETONE

MDL Number

MFCD00027144

Customs Code

2914399090

FAQ

What regulatory guidelines apply to 1-Phenyl-3-hexanone (CAS: 29898-25-7)?

1-Phenyl-3-hexanone (CAS: 29898-25-7) falls under the Classification, Labeling and Packaging (CLP) regulations in the EU and the Globally Harmonized System (GHS) internationally. It must comply with REACH regulations for substances above 1 tonne per year. FDA and EPA regulations also apply for its use in cosmetics and pesticides, requiring proper documentation and hazard communication.

Are there alternatives to 1-Phenyl-3-hexanone (CAS: 29898-25-7) in synthesis?

Alternatives to 1-Phenyl-3-hexanone (CAS: 29898-25-7) include similar ketones like 2-Phenyl-3-hexanone and 1-Benzyl-3-hexanone. Other common alternatives such as cyclohexanone can be used in synthesis depending on the desired properties and reactivity. These alternatives offer similar functional groups for diverse applications.

What is the market or research trend for 1-Phenyl-3-hexanone (CAS: 29898-25-7)?

The market for 1-Phenyl-3-hexanone (CAS: 29898-25-7) is driven by its use in fragrances and flavoring agents. Research trends focus on its potential in drug synthesis and as a precursor for other chemical intermediates. Recent studies also explore its environmental impact and safer alternatives, reflecting growing concerns for sustainable chemistry.

How should waste containing 1-Phenyl-3-hexanone (CAS: 29898-25-7) be handled?

Waste containing 1-Phenyl-3-hexanone (CAS: 29898-25-7) should be collected in airtight containers and stored separately. Proper disposal involves incineration or professional waste treatment facilities. Environmental precautions include ensuring no spillage and minimizing exposure to air and water. Always follow local waste disposal regulations and guidelines for safe handling and disposal.