CAS 586-89-0 4-Acetylbenzoic Acid - Materials / Alfa Chemistry

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4-Acetylbenzoic Acid

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Catalog Number

ACM586890

Product Name

4-Acetylbenzoic Acid

Structure

CAS

586-89-0

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4'-Acetophenonecarboxylic Acid

IUPAC Name

4-acetylbenzoic acid

Molecular Weight

164.16

Molecular Formula

C9H8O3

Canonical SMILES

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

InChI

InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)

InChI Key

QBHDSQZASIBAAI-UHFFFAOYSA-N

Boiling Point

339.9 °C at 760 mmHg

Melting Point

210 °C

Purity

97%

Appearance

White to Orange to Green powder to crystal

Complexity

190

Covalently-Bonded Unit Count

EC Number

209-588-5

Exact Mass

164.047344g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

Log P

1.61 (LogP)

MDL Number

MFCD00002561

MeSH Entry Terms

4-acetylbenzoic acid

Monoisotopic Mass

164.047344g/mol

NSC Number

16644

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

Signal Word

Warning

XLogP3

1.6

MSDS

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COA

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Spec Sheet

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