2,4,6-Trimethylphenol

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Systematic / IUPAC Name: 2,4,6-Trimethylphenol

ID: Reference2764

Other Names: 2,4,6-Trimetylofenol;
Mesitol;
Mesityl alcohol;
1,3,5-Trimethylphenol;
1-Hydroxy-2,4,6-trimethylbenzene ; more

Formula: C9H12O

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

Spectral Data

2,4,6-Trimethylphenol 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 91
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 3/29/2018 7:57:27 AM
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Identificators

InChI InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
InChI Key BPRYUXCVCCNUFE-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(C(=C1)C)O)C
CAS 527606
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Other Names 2,4,6-Trimetylofenol;
Mesitol;
Mesityl alcohol;
1,3,5-Trimethylphenol;
1-Hydroxy-2,4,6-trimethylbenzene;
2,4,6-Trimethylofenol;
2-Hydroxymesitylene;
Benzene, 2-hydroxy-1,3,5-trimethyl-;
Benzene,1-hydroxy,2,4,6-trimethyl;
Phenol, 2,4,6-trimethyl-

In Other Databases

HMDb HMDB32544
PubChem 10698
ChemSpider 10248
ChemIDPlus 000527606
ChEMBL CHEMBL108930