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3-(tert-Butyl)benzoic acid, 97%|816817|7498-54-6

3-(tert-Butyl)benzoic acid, 97%

Cat. No JK816817_250_MG
J&K Chemical

Product Information

Product Name
3-(tert-Butyl)benzoic acid, 97%
Brand Name
J&K
Product Number
816817
CAS
7498-54-6
Molecular Formula
C11H14O2
Molecular Weight
178.23
Certificate of Analysis (COA)​
COA not found

General Information

PubChem CID
139037
IUPAC Name
3-tert-butylbenzoic acid
InChI Key
PWEJHEZAHNQSHP-UHFFFAOYSA-N
SMILES
CC(C)(C)C1=CC=CC(=C1)C(=O)O

Properties

Melting Point
129-130

Safety Information

GHS Symbols
Hazard Symbol
Signal Word
Warning
Hazard Statement
H302
H315
H319
H335
Precautionary Statement
P270
P330
P501
P280
P321
P261
P271
P319
P405
P301+P317
P302+P352
P332+P317
P362+P364
P264+P265
P305+P351+P338
P337+P317
P304+P340
P403+P233

References Data Source From Pubchem

Towards the mechanism of spermatotoxicity of p-tert-butyl-alpha-methylhydrocinnamic aldehyde: inhibition of late stage ex-vivo spermatogenesis in rat seminiferous tubule cultures by para-tert-butyl- benzoic acid
Publication Name: Archives of Toxicology
Publication Date: 2022-09-29
DOI: 10.1007/s00204-022-03379-y

Bioisosteres of the Phenyl Ring: Recent Strategic Applications in Lead Optimization and Drug Design
Publication Name: Journal of Medicinal Chemistry
Publication Date: 2021-09-30
DOI: 10.1021/acs.jmedchem.1c01215

A new approach for the estimation of sublimation enthalpies and vapor pressures of crystalline benzene derivatives
Publication Name: Structural Chemistry
Publication Date: 2013-06-06
DOI: 10.1007/s11224-013-0291-4

Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition
Publication Name: Journal of Medicinal Chemistry
Publication Date: 1996-01-01
DOI: 10.1021/jm950589q

QSAR's from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods
Publication Name: Journal of Medicinal Chemistry
Publication Date: 1993-10-01
DOI: 10.1021/jm00072a012

3-(tert-Butyl)benzoic acid, 97%

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