67940 <common-name>2-(2(Or 4)-Isononylphenoxy)ethyl dihydrogen phosphate</common-name> <description>2-(2(Or 4)-Isononylphenoxy)ethyl dihydrogen phosphate belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C17H29O5P and an average molecular weight of 344.39 g/mol.</description> <cas>100258-39-7</cas> <pubchem-id>113567</pubchem-id> <chemical-formula>C17H29O5P1</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-03T10:56:02Z</created-at> <updated-at type="dateTime">2026-04-03T10:56:02Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C)CCCCCCC1=CC=C(OCCOP(O)(O)=O)C=C1</moldb-smiles> <moldb-formula>C17H29O5P1</moldb-formula> <moldb-inchi>InChI=1S/C17H29O5P/c1-15(2)7-5-3-4-6-8-16-9-11-17(12-10-16)21-13-14-22-23(18,19)20/h9-12,15H,3-8,13-14H2,1-2H3,(H2,18,19,20)</moldb-inchi> <moldb-inchikey>SVVDLSHAPBYPFP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">344.388</moldb-average-mass> <moldb-mono-mass type="decimal">344.175261</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>101768</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM063833</chemdb-id> <dsstox-id>DTXSID20143069</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022958</susdat-id> <iupac>2-[4-(7-methyloctyl)phenoxy]ethyl dihydrogen phosphate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0118566</sync-id> <structure-inchikey>SVVDLSHAPBYPFP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000010000000800002000000000000000000000080000000000000000000001001000200200000000000000000000200000000000000000002000000000000000000000000000000000000000020000008000100000200001000000000000000010000000000000000000000000000000000000000002000000000000020040060000000000000000000010000000000800000000000001000000000100000000000000000000000080000000000000000080000000000000000000000000000000000000000000000000000000000000000080000000220000000000000001000020100080040000000010000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`������@(������@h�������@h�������@(�������(�������`�������`������� ������ ������`�������`�������(������@h�������@h�������������������������������� � h� �h���h�� �����������������������h���h�� h�B����� ���� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:59Z</structure-indexed-at> </compound>