1,4-Dioctylbenzene - CAS 10541-38-5

Catalog:	BB001639
Product Name:	1,4-Dioctylbenzene
CAS:	10541-38-5
Synonyms:	1,4-dioctylbenzene

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Computed Properties

IUPAC Name:	1,4-dioctylbenzene
Description:	1,4-Dioctylbenzene (CAS# 10541-38-5 ) is a useful research chemical.
Molecular Weight:	302.54
Molecular Formula:	C22H38
Canonical SMILES:	CCCCCCCCC1=CC=C(C=C1)CCCCCCCC
InChI:	InChI=1S/C22H38/c1-3-5-7-9-11-13-15-21-17-19-22(20-18-21)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChI Key:	WNLMYIPOMNQVLC-UHFFFAOYSA-N
Boiling Point:	359-360 °C (lit.)
Purity:	95 %
Density:	0.8376 g/mL at 25 °C(lit.)
MDL:	MFCD05865209
LogP:	7.49260

Publication Number	Title	Priority Date
US-10351520-B2	Alkylaromatic sulfonate compositions from mixed hydrocarbons	20160901
US-10351521-B2	Alkylaromatic sulfonate compositions from mixed hydrocarbons	20160901
US-10435359-B2	Alkylaromatic sulfonate compositions from mixed hydrocarbons	20160901
US-2018057451-A1	Alkylaromatic Sulfonate Compositions From Mixed Hydrocarbons	20160901
US-2018057452-A1	Alkylaromatic Sulfonate Compositions From Mixed Hydrocarbons	20160901

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P273, P280, P305+P351+P338, P337+P313, and P501
Signal Word:	Warning

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	302.297351212
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	302.297351212
Rotatable Bond Count:	14
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	10