Methyl dodecylbenzenesulfonate - CAS 52319-06-9

Catalog:	BB027780
Product Name:	Methyl dodecylbenzenesulfonate
CAS:	52319-06-9
Synonyms:	methyl 2-dodecylbenzenesulfonate

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Computed Properties

IUPAC Name:	methyl 2-dodecylbenzenesulfonate
Description:	Methyl dodecylbenzenesulfonate (CAS# 52319-06-9) is an esterification reagent for sulfonic acids. Substance for in cyanide removal from wastewater using hypochlorite treatment.
Molecular Weight:	340.52
Molecular Formula:	C19H32O3S
Canonical SMILES:	CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC
InChI:	InChI=1S/C19H32O3S/c1-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(20,21)22-2/h13-14,16-17H,3-12,15H2,1-2H3
InChI Key:	AIXYHMWIAPSTQG-UHFFFAOYSA-N
Boiling Point:	446.8 °C at 760 mmHg
Purity:	95 %
Density:	1.027 g/cm³
LogP:	6.18710

Publication Number	Title	Priority Date
US-10066152-B2	Crosslinkable proppant particulates for use in subterranean formation operations	20140815
US-2017198208-A1	Crosslinkable Proppant Particulates For Use In Subterranean Formation Operations	20140815
WO-2016025002-A1	Crosslinkable proppant particulates for use in subterranean formation operations	20140815
WO-2011040920-A1	Dispersion of near infrared absorbing pigments and method of making the same	20090930
EP-2001836-A1	Improved method for producing sodium chloride-free ammonium nitriles	20060324

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	373
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	340.20721605
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	340.20721605
Rotatable Bond Count:	13
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.4