95872 <common-name>1-Phenylpropane-1,3-diyl diformate</common-name> <description>1-Phenylpropane-1,3-diyl diformate belongs to the benzyloxycarbonyls, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C11H12O4 and an average molecular weight of 208.21 g/mol.</description> <cas>36626-52-5</cas> <pubchem-id>169793</pubchem-id> <chemical-formula>C11H12O4</chemical-formula> <weight>208.21</weight> <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">2026-04-05T03:46:45Z</created-at> <updated-at type="dateTime">2026-08-26T20:42:57Z</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>O=COCCC(OC=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C11H12O4</moldb-formula> <moldb-inchi>InChI=1/C11H12O4/c12-8-14-7-6-11(15-9-13)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2</moldb-inchi> <moldb-inchikey>RDCASYVPNQBLPI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">208.213</moldb-average-mass> <moldb-mono-mass type="decimal">208.0735589</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM091765</chemdb-id> <dsstox-id>DTXSID90884674</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057897</susdat-id> <iupac>(3-formyloxy-3-phenylpropyl) formate</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>Benzene and substituted derivatives</klass> <subklass>Benzyloxycarbonyls</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0131957</sync-id> <structure-inchikey>RDCASYVPNQBLPI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000000800000000000004000000000000000000000000000000000000100000000000000000200000004000000000000000000000000000000000000000000000000000000000000000020020000000300000000001000000004000000000000000000000000000100000000000000000000000008000800000000000000000000800000000000000000000000000100000000000000000000000000000000000000000400080000000000000000040000000000000000000000000000000400000800000000000000000000000000000000000200400000000000000000000000000040000000000000000000000000000000300000000000</structure-fingerprint> <structure-pattern-fingerprint>206000000000001082000000000000005000000200040020000044002000000800000000001000080000004200020208c30010000443000a0000084110000020000000080100000620000000001004000013240000420000009000c2004040000020000000000442000002000801000012004110800000011000240440000044000080800000008080008111c0002440000820004080000000000004100000000400000000840003d201002c0000108410840000000000040021000000004040000000180000021010200000000000000400000000000080000000000080000010000000000000002200400100010004000020000010052000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABCAAoAAAAAwIGAGgAAAAD AwEIACgAAAADAgYAYAAAAAICBgBgAAAAAgIGAGAAAAADAQgAKAAAAAMCBgBo AAAAAwMBCAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAA AAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAASgCAQIgAgMAAwQABAUABQYABgcg BwgoAgUJAAkKaAwKC2gMCwxoDAwNaAwNDmgMDgloDEIBAAAABgkODQwLChcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:40Z</structure-indexed-at> </compound>