4-tert-Octylphenol


4-tert-Octylphenol
DEDuCT identifierDED000615
Pubchem identifier8814
CAS identifier140-66-9
IUPAC name4-tert-Octylphenol
Category based on type of supporting evidenceCategory II
Broad category based on environmental sourceConsumer Products, Industry, Agriculture and Farming
Sub-category based on environmental sourceFood additives, Household Supplies, Industrial Additive, Paints, Pesticide, Plasticizer, Stationery
Chemical kingdomOrganic compounds
Chemical super-classBenzenoids
Chemical classBenzene and substituted derivatives
SMILESCC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
InChIInChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
InChIKeyISAVYTVYFVQUDY-UHFFFAOYSA-N

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

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