4-Isopropylbenzenesulfonic Acid - CAS 16066-35-6

Catalog:	BB011656
Product Name:	4-Isopropylbenzenesulfonic Acid
CAS:	16066-35-6
Synonyms:	4-propan-2-ylbenzenesulfonic acid; 4-propan-2-ylbenzenesulfonic acid

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Computed Properties

IUPAC Name:	4-propan-2-ylbenzenesulfonic acid
Description:	4-Isopropylbenzenesulfonic Acid (CAS# 16066-35-6 ) is a useful research chemical.
Molecular Weight:	200.25
Molecular Formula:	C9H12O3S
Canonical SMILES:	CC(C)C1=CC=C(C=C1)S(=O)(=O)O
InChI:	InChI=1S/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)
InChI Key:	CVLHGLWXLDOELD-UHFFFAOYSA-N
Appearance:	Liquid
LogP:	3.13750

Publication Number	Title	Priority Date
CN-112979482-A	High-purity L-valine and preparation method and application thereof	20201225
DE-102020204506-A1	Fabric softener with pheromones	20200407
DE-102020204507-A1	Fabric softener with aphrodisiac fragrances	20200407
WO-2021201196-A1	Film-forming composition	20200331
US-2021189293-A1	Particulate fabric care composition	20191220

PMID	Publication Date	Title	Journal
18533458	20080301	Simultaneous extraction of bioactive limonoid aglycones and glucoside from Citrus aurantium L. using hydrotropy	Zeitschrift fur Naturforschung. C, Journal of biosciences
15051466	20040501	The solubility of ethane, propane, and carbon dioxide in aqueous solutions of sodium cumene sulfonate	Journal of colloid and interface science

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Related Functional Groups

Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[1778-09-2]
4'-(Methylthio)acetophenone
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[52147-97-4]
trans-β-Styrenesulfonyl chloride

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GHS Hazard Statement:	H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement:	P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501
Signal Word:	Danger

Complexity:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.05071541
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.05071541
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9