Monobutyl phthalate


Monobutyl phthalate
DEDuCT identifierDED000613
Pubchem identifier8575
CAS identifier131-70-4
IUPAC nameMonobutyl phthalate
Category based on type of supporting evidenceCategory II
Broad category based on environmental sourceConsumer Products
Sub-category based on environmental sourceHousehold Supplies
Chemical kingdomOrganic compounds
Chemical super-classBenzenoids
Chemical classBenzene and substituted derivatives
SMILESCCCCOC(=O)C1=CC=CC=C1C(=O)O
InChIInChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKeyYZBOVSFWWNVKRJ-UHFFFAOYSA-N

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

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