3-tert-Butyl-4-hydroxyanisole

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Systematic / IUPAC Name: 4-Methoxy-2-(2-methyl-2-propanyl)phenol

ID: Reference1454

Other Names: 4-Hydroxy-3-tert-butylanisole;
Phenol, 2-(1,1-dimethylethyl)-4-methoxy-;
4-Methoxy-2-tert-butylphenol;
2-(tert-Butyl)-4-methoxyphenol;
Phenol, 2-tert-butyl-4-methoxy- ; more

Formula: C11H16O2

Class: Extractables/Leachables Excipients/Additives/Colorants Personal Care Products/Cosmetics Textile Chemicals/Auxiliary/Dyes

Spectral Data

3-tert-Butyl-4-hydroxyanisole 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 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/8/2020 7:04:48 AM
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Identificators

InChI InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
InChI Key MRBKEAMVRSLQPH-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=C(C=CC(=C1)OC)O
CAS 121006
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Other Names 4-Hydroxy-3-tert-butylanisole;
Phenol, 2-(1,1-dimethylethyl)-4-methoxy-;
4-Methoxy-2-tert-butylphenol;
2-(tert-Butyl)-4-methoxyphenol;
Phenol, 2-tert-butyl-4-methoxy-;
o-tert-Butyl-p-methoxyphenol;
3-tert-Butyl-p-hydroxyanisole;
2-(1,1-Dimethylethyl)-4-methoxyphenol;
Benzene,1-tert-butyl,2-hydroxy,5-methoxy

In Other Databases

ChEBI CHEBI:76358
PubChem 8456
HMDb HMDB59925
ChemSpider 8145
ChEMBL CHEMBL192451
ChemIDPlus 000121006; 000921006