4-tert-Amylphenol

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Systematic / IUPAC Name: 4-(2-Methylbutan-2-yl)phenol

ID: Reference2777

Other Names: p-tert-Amylphenol;
tert-Amylphenol;
Amilfenol;
Amilphenol;
Nipacide PTAP ; more

Formula: C11H16O

Class: Endogenous Metabolites Extractables/Leachables Pesticides/Herbicides Industrial Chemicals Textile Chemicals/Auxiliary/Dyes

Spectral Data

4-tert-Amylphenol 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 3/29/2018 8:02:55 AM
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Identificators

InChI InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
InChI Key NRZWYNLTFLDQQX-UHFFFAOYSA-N
Canonical SMILES CCC(C)(C)C1=CC=C(C=C1)O
CAS 80466
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Other Names p-tert-Amylphenol;
tert-Amylphenol;
Amilfenol;
Amilphenol;
Nipacide PTAP ;
Pentaphen 67;
PTAP ;
p-(α,α-Dimethylpropyl)phenol;
p-(1,1-Dimethylpropyl)phenol;
1-Hydroxy-4-(1,1-dimethylpropyl)benzene;
1-Hydroxy-4-(2-methyl-2-butyl)benzene;
4-(tert-Pentyl)phenol;
4-(1,1-Dimethylpropyl)-1-phenol;
4-(1,1-Dimethylpropyl)phenol;
4-tert-Pentylphenol;
Phenol, p-tert-pentyl-;
Phenol, 4-(1,1-dimethylpropyl)-

In Other Databases

KEGG C14226
ChEMBL CHEMBL195693
ChemSpider 21106091
HMDb HMDB13825