CAS 122-00-9 4'-Methylacetophenone - Materials / Alfa Chemistry

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4'-Methylacetophenone

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Catalog Number

ACM122009

Product Name

4'-Methylacetophenone

Structure

CAS

122-00-9

Category

Liquid Crystal (LC) Building Blocks

Synonyms

Esberiven

Description

Solid;low melting colourless or opaque crystalline mass (tends to supercool) with a strong fruity-floral, warm, sweet odour

IUPAC Name

1-(4-Methylphenyl)ethanone

Molecular Weight

134.18

Molecular Formula

C9H10O

Canonical SMILES

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

InChI

InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3

InChI Key

GNKZMNRKLCTJAY-UHFFFAOYSA-N

Boiling Point

226 °C(lit.)

Melting Point

22-24 °C(lit.)

Flash Point

198 °F

Purity

98%

Density

1.005 g/mL at 25 °C(lit.)

Solubility

Insoluble in water, soluble in organic solvents, oils

Appearance

Clear colorless to pale yellow liquid

Storage

Store below +30 °C

Complexity

121

Covalently-Bonded Unit Count

EC Number

204-514-8

Exact Mass

134.073164938

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.H227 : Combustible liquid.

Heavy Atom Count

Log P

2.1 (LogP);2.10;2.10

MDL Number

MFCD00008751

MeSH Entry Terms

p-methylacetophenone

Monoisotopic Mass

134.073164938

NSC Number

9401

Odor

Fruity-floral, warm, sweet odor

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P403 + P235 : Store in a well-ventilated place. Keep cool.

Refractive Index

n20/D 1.533(lit.)

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

1.01

Storage Conditions

Below +30 °C

Topological Polar Surface Area

17.1 Å²

UNII