CAS 174305-83-0 | Phenol, 4-(1,1,3-trimethylhexyl)- | CAS Number 174305-83-0

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174305-83-0 | Phenol, 4-(1,1,3-trimethylhexyl)-

CAS No: 174305-83-0 Catalog No: AG001ZLC MDL No:

Product Description

Catalog Number:

AG001ZLC

Chemical Name:

Phenol, 4-(1,1,3-trimethylhexyl)-

CAS Number:

174305-83-0

Molecular Formula:

C15H24O

Molecular Weight:

220.3505

IUPAC Name:

4-(2,4-dimethylheptan-2-yl)phenol

InChI:

InChI=1S/C15H24O/c1-5-6-12(2)11-15(3,4)13-7-9-14(16)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3

InChI Key:

ZZUSILGUGUPOGP-UHFFFAOYSA-N

SMILES:

CCCC(CC(c1ccc(cc1)O)(C)C)C

Properties

Complexity:

190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.183g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.356g/mol

Monoisotopic Mass:

220.183g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.7

Literature

Title	Journal
Synthesis of branched para-nonylphenol isomers: occurrence and quantification in two commercial mixtures.	Chemosphere 20050901
Variation in estrogenic activity among fractions of a commercial nonylphenol by high performance liquid chromatography.	Chemosphere 20040201