3-Nitro-1-(4-octylphenyl)propan-1-one

Basic Information

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CAS Number

899822-97-0

Molecular Formula

C17H25NO3

Molecular Weight

291.39 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

Physical State

Cryst.

Density

1.032

SMILES

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CCCCCCCCC1=CC=C(C=C1)C(=O)CC[N+](=O)[O-]

InChI

InChI=1S/C17H25NO3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18(20)21/h9-12H,2-8,13-14H2,1H3

InChIKey

NJNSEIUIBRRLDJ-UHFFFAOYSA-N

LogP

4.439100000000004

Topological Polar Surface Area

60.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

304

Synonyms & References

English

3-nitro-1-(4-octylphenyl)-preopanone
3-nitro-1-(4-octylphenyl)propan-1-one
[ "" ]
3-Nitro-1-(4-octylphenyl)-1-propanone (ACI)
3-Nitro-1-(4-octylphenyl)propan-1-one
NJNSEIUIBRRLDJ-UHFFFAOYSA-N
3-Nitro-1-(4-Octylphenyl)preopanone
DB-366545
3-Nitro-1-(4-octylphenyl)-1-propanone
SCHEMBL903614
AC-25897
AKOS025401815
899822-97-0

MDL Number

MFCD23142621

FAQ

What is 3-Nitro-1-(4-octylphenyl)propan-1-one (CAS: 899822-97-0)?

3-Nitro-1-(4-octylphenyl)propan-1-one is a colorless liquid with a distinctive odor. It has the molecular formula C17H26NO2 and a CAS number of 899822-97-0. It is characterized by its high volatility and low toxicity, making it suitable for various applications.

What are the main uses of 3-Nitro-1-(4-octylphenyl)propan-1-one (CAS: 899822-97-0)?

3-Nitro-1-(4-octylphenyl)propan-1-one is primarily used in the fragrance and perfume industry due to its pleasant aroma. It also finds applications in the synthesis of other organic compounds and as a solvent in various chemical processes.

Is 3-Nitro-1-(4-octylphenyl)propan-1-one (CAS: 899822-97-0) safe?

3-Nitro-1-(4-octylphenyl)propan-1-one is generally safe for use, but it should be handled with care due to its volatility. Proper protective measures, such as wearing gloves and a laboratory coat, should be followed to avoid inhaling fumes and direct skin contact. It is important to store it in a well-ventilated area away from open flames and heat sources.

How should 3-Nitro-1-(4-octylphenyl)propan-1-one (CAS: 899822-97-0) be stored?

3-Nitro-1-(4-octylphenyl)propan-1-one should be stored in a cool, dry place, away from direct sunlight and heat sources to prevent degradation. It is recommended to keep it in a tightly sealed container to minimize exposure to air and ensure purity. Maintain a temperature below 30°C and avoid contact with incompatible materials such as strong acids and bases.