2,4-Di-tert-butylphenol


2,4-Di-tert-butylphenol
DEDuCT identifierDED000846
PubChem identifier7311
CAS identifier96-76-4
DSSTox identifierDTXSID2026602
IUPAC name2,4-ditert-butylphenol
Category based on type of supporting evidenceCategory IV
Broad category based on environmental sourceIndustry, Intermediates
Sub-category based on environmental sourceIndustrial Additive, Industrial Intermediates
Chemical kingdomOrganic compounds
Chemical super-classBenzenoids
Chemical classBenzene and substituted derivatives
SMILESOc1ccc(cc1C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChIKeyICKWICRCANNIBI-UHFFFAOYSA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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