1-Phenyl-2-hexanone

Basic Information

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CAS Number

25870-62-6

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

Boiling Point

153°C/20mmHg

Flash Point

153°C/20mm

Refractive Index

1.5010

SMILES

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CCCCC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3

InChIKey

DYQAZJQDLPPHNB-UHFFFAOYSA-N

LogP

2.9884000000000013

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

145

Synonyms & References

English

1-PHENYL-2-HEXANONE
SCHEMBL330291
MFCD00027240
DTXSID301315661
AS-81244
NS00049034
1-Phenylhexan-2-one
2-Hexanone, 1-phenyl-
NSC15336
NSC 15336
phenyl hexanone
Benzyl Butyl Ketone
1-phenyl-hexan-2-one
NSC-15336
25870-62-6
A877449
AKOS009157724
Benzyl n-butyl ketone
DYQAZJQDLPPHNB-UHFFFAOYSA-
CS-0152391
CHEBI:145957
D88735
AI3-24765
SY048304
1-phenyl-2 -hexanone
FT-0608235
B1030
InChI=1/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
EINECS 247-306-2
1-Phenyl-2-hexanone
1-Phenyl-hexan-2-on

MDL Number

MFCD00027240

Customs Code

2914399090

FAQ

What is 1-Phenyl-2-hexanone (CAS: 25870-62-6)?

1-Phenyl-2-hexanone is an organic compound with the CAS number 25870-62-6. Its molecular formula is C11H12O. It is a colorless to light yellow liquid with a distinctive aroma. This compound is used in various applications including fragrance and flavoring agents and as a chemical intermediate.

What are the main uses of 1-Phenyl-2-hexanone (CAS: 25870-62-6)?

1-Phenyl-2-hexanone is primarily used as a fragrance and flavoring agent in the perfume and food industries. It is also used as a chemical intermediate in the synthesis of other compounds and as a solvent in organic synthesis. Additionally, it has some applications in the pharmaceutical industry as an intermediate in drug synthesis.

Is 1-Phenyl-2-hexanone (CAS: 25870-62-6) safe?

1-Phenyl-2-hexanone is generally considered safe for most industrial and commercial applications. However, it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. It should be handled with care to avoid skin contact and inhalation. Ensure good ventilation when working with this compound.

How should 1-Phenyl-2-hexanone (CAS: 25870-62-6) be stored?

1-Phenyl-2-hexanone should be stored in a cool, dry place away from direct sunlight and heat sources. The storage temperature should be maintained below 30°C (86°F). It should be kept in a sealed, airtight container to prevent moisture absorption and contamination. Store it out of reach of children and pets, and in a well-ventilated area to minimize the risk of inhalation. Ensure the container is properly labeled to indicate the contents and hazards of the substance.