1-(4-Isobutylphenyl)ethanone

Basic Information

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CAS Number

38861-78-8

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

268°C

Water Solubility

Miscible with chloroform and methanol. Slightly miscible with water.

Refractive Index

1.5180

SMILES

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CC(C)CC1=CC=C(C=C1)C(=O)C

InChI

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

InChIKey

KEAGRYYGYWZVPC-UHFFFAOYSA-N

LogP

3.0877000000000017

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

164

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H317 May cause an allergic skin reaction
Sensitization, Skin

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

MFCD00027393
4'-(2-Methylpropyl)acetophenone
38861-78-8
p-iso-Butylacetophenone
PD065584
IBUPROFEN IMPURITY E [EP IMPURITY]
4-Isobutylacetophenone
NSC 173015
AML715RD20
1-(4-(2-Methylpropyl)phenyl)ethan-1-one
1-(4-Isobutylphenyl)ethanone
Q27274010
I0417
Z104484764
W-109224
UNII-AML715RD20
AKOS000120632
Ibuprofen Imp. E (EP); Ibuprofen USP Related Compound C; Ibuprofen USP RC C; 1-[4-(2-Methylpropyl)phenyl]ethanone; Ibuprofen Related Compound C; Ibuprofen Impurity E
STR06927
NSC173015
1-(4-Isobutylphenyl)ethanone #
PS-4197
DTXSID6068147
4'-Isobutylacetophenone
Ethanone, 1-(4-(2-methylpropyl)phenyl)-
SCHEMBL585471
InChI=1/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H
1-[4-(2-methylpropyl)phenyl]ethan-1-one
NSC-173015
4-iso-Butylacetophenone
Acetophenone, 4-isobutyl-

MDL Number

MFCD00027393

Customs Code

2914399090

FAQ

What is 1-(4-Isobutylphenyl)ethanone (CAS: 38861-78-8)?

1-(4-Isobutylphenyl)ethanone (CAS: 38861-78-8) is an organic compound with the molecular formula C10H14O. It is a ketone with a distinctive odor and is used in various applications including pharmaceuticals and fragrance industries.

What are the main uses of 1-(4-Isobutylphenyl)ethanone (CAS: 38861-78-8)?

1-(4-Isobutylphenyl)ethanone is primarily used as a precursor in the synthesis of other chemical compounds, particularly in the pharmaceutical and fragrance industries. It may also serve as a solvent in some industrial applications.

Is 1-(4-Isobutylphenyl)ethanone (CAS: 38861-78-8) safe?

1-(4-Isobutylphenyl)ethanone is generally considered safe for use in industrial and pharmaceutical applications, provided appropriate handling precautions are followed. It is slightly toxic and should be handled in a well-ventilated area. Protective gloves and goggles are recommended during handling.

How should 1-(4-Isobutylphenyl)ethanone (CAS: 38861-78-8) be stored?

1-(4-Isobutylphenyl)ethanone should be stored in a cool, dry place away from direct sunlight and heat sources. It is best kept in a tightly sealed container to prevent contamination and degradation. The storage temperature should not exceed 25°C (77°F) to maintain its stability.