4-tert-Octylphenol

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Systematic / IUPAC Name: 4-(2,4,4-Trimethyl-2-pentanyl)phenol

ID: Reference3121

Other Names: Tyloxapol;
p-(1',1',3',3'-Tetramethylbutyl)fenol;
p-(1,1,3,3-Tetramethylbutyl)phenol;
p-(1',1',3',3'-Tetramethylbutyl)phenol;
p-tert-Octylphenol ; more

Formula: C14H22O

Class: Textile Chemicals/Auxiliary/Dyes Endogenous Metabolites Industrial Chemicals Excipients/Additives/Colorants Extractables/Leachables

Spectral Data

4-tert-Octylphenol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 90
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 10/16/2015 7:15:15 AM
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Identificators

InChI InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
InChI Key ISAVYTVYFVQUDY-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
CAS 140669
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Other Names Tyloxapol;
p-(1',1',3',3'-Tetramethylbutyl)fenol;
p-(1,1,3,3-Tetramethylbutyl)phenol;
p-(1',1',3',3'-Tetramethylbutyl)phenol;
p-tert-Octylphenol;
4-(tert-Octyl)phenol;
4-(1,1,3,3-Tetramethylbutyl)phenol;
4-(2,4,4-Trimethylpentan-2-yl)phenol;
4-t-Octylphenol ;
Phenol, p-(tert-octyl)-;
Phenol, p-(1,1,3,3-tetramethylbutyl)-;
Phenol, 4-(1,1,3,3-tetramethylbutyl)-

In Other Databases

Wikipedia 4-tert-Octylphenol (DE)
HMDb HMDB32528
PubChem 8814
ChemSpider 8483
KEGG C14205
ChEMBL CHEMBL259327
ChemIDPlus 000140669