4-Tert-Butylbenzoic Acid - Materials / Alfa Chemistry

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4-Tert-Butylbenzoic Acid

PRICE INQUIRY

Catalog Number

ACMA00016807

Product Name

4-Tert-Butylbenzoic Acid

Category

Polymers

Description

DryPowder; DryPowder, PelletsLargeCrystals; PelletsLargeCrystals

IUPAC Name

4-tert-butylbenzoic acid

Molecular Weight

178.23g/mol

Molecular Formula

C11H14O2

Canonical SMILES

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

InChI

InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)

InChI Key

KDVYCTOWXSLNNI-UHFFFAOYSA-N

Melting Point

164.5 °C;164.5-165.5 °C

Solubility

1.57e-04 M;INSOL IN WATER; VERY SOL IN ALCOHOL & BENZENE

Color/Form

NEEDLES FROM DILUTE ALCOHOL

Complexity

183

Covalently-Bonded Unit Count

EC Number

202-696-3

Exact Mass

178.09938g/mol

Formal Charge

Heavy Atom Count

Log P

3.85 (LogP)

MeSH Entry Terms

4-tert-butylbenzoic acid;4-tert-butylbenzoic acid, aluminum salt;4-tert-butylbenzoic acid, barium salt;4-tert-butylbenzoic acid, calcium salt;4-tert-butylbenzoic acid, magnesium salt;4-tert-butylbenzoic acid, potassium salt;4-tert-butylbenzoic acid, sodium salt;4-tert-butylbenzoic acid, zinc salt;para-tert-butylbenzoic acid

Monoisotopic Mass

178.09938g/mol

NSC Number

4802

Rotatable Bond Count

UNII

43Z7T3VN0R

XLogP3

3.9

MSDS

Download MSDS

COA