CAS 1498-96-0 4-Butoxybenzoic Acid - Materials / Alfa Chemistry

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4-Butoxybenzoic Acid

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Catalog Number

ACM1498960-1

Product Name

4-Butoxybenzoic Acid

Structure

CAS

1498-96-0

Category

Liquid Crystal (LC) Building Blocks

Synonyms

p -(Butyloxy)benzoic acid,p -Butoxybenzoic acid

IUPAC Name

4-butoxybenzoic acid

Molecular Weight

194.23

Molecular Formula

C11H14O3

Canonical SMILES

CCCCOC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H14O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)

InChI Key

LAUFPZPAKULAGB-UHFFFAOYSA-N

Melting Point

162 °C

Purity

>98.0%(GC)(T)

Appearance

White to Almost white powder to crystal

Complexity

171

Covalently-Bonded Unit Count

EC Number

216-104-6

Exact Mass

194.094294g/mol

Formal Charge

Hazard Statements

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

Heavy Atom Count

Log P

3.57 (LogP)

MDL Number

MFCD00002546

Monoisotopic Mass

194.094294g/mol

NSC Number

60247

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

3.6

MSDS

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COA

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Spec Sheet

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