12701 <common-name>Propylene glycol monobutyl ether</common-name> <description>Propylene glycol monobutyl ether is an organic oxygen compound with the chemical formula C7H16O2 and an average molecular weight of 132.20 g/mol. Propylene glycol monobutyl ether belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. In industrial settings, this compound serves as a solvent and a chemical reaction regulator. It is identified in five recorded sources, including household cleaning and consumer products such as soap dispensers. Additionally, it is found in building and construction materials, specifically floors and roofs, as well as in electrical and electronic equipment, including power cables and communication cables or conductors.</description> <cas>29387-86-8</cas> <pubchem-id>3032854</pubchem-id> <chemical-formula>C7H16O2</chemical-formula> <weight>132.2</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">2016-05-19T03:41:41Z</created-at> <updated-at type="dateTime">2026-08-23T22:38:31Z</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>CCCCOC(O)CC</moldb-smiles> <moldb-formula>C7H16O2</moldb-formula> <moldb-inchi>InChI=1S/C7H16O2/c1-3-5-6-9-7(8)4-2/h7-8H,3-6H2,1-2H3</moldb-inchi> <moldb-inchikey>IDQBJILTOGBZCR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">132.203</moldb-average-mass> <moldb-mono-mass type="decimal">132.115029755</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2297726</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>CHEM011596</chemdb-id> <dsstox-id>DTXSID6029755</dsstox-id> <toxcast-id>29755</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00019431</susdat-id> <iupac>1-butoxypropan-1-ol</iupac> <moldb-polar-surface-area>29.46</moldb-polar-surface-area> <moldb-refractivity>37.299</moldb-refractivity> <moldb-polarizability>16.081058967545875</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>12.485941404601405</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.8984492296273467</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>1.46</moldb-alogps-logp> <moldb-alogps-logs>-0.65</moldb-alogps-logs> <moldb-alogps-solubility>2.97e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Ethers</subklass> <paper-count type="integer">8</paper-count> <sync-id>CED0018287</sync-id> <structure-inchikey>IDQBJILTOGBZCR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000000800000000002000000000000000000000000100000000000000002000008000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000100000200000000000000000020010000000000000000000000000000000000000000000000000000000000000040000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000040000010000000000000000000004000000000000000000000000000000000000000000000000000010000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>1000000000020000000010000020000000000000040000000000400000000040000000008000000000010000000000042000000004000000004460002000008011000000000000000000100042000000000000400000020000000000000100002000000000000000000000402000002000001000002000110800000010000200400000044000000800000009000000100400024400000000080800000000000041000000004000000008000000000002c0000000000800000000000000000000000000040000000080000000000000000000000000400000000000080000000000080000000000000000000000000000000000004000000000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAJAAAACAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIIACAAAAACBgBgAAAAAwEIAGAAAAABAQYAYAAA AAICBgBgAAAAAQMLAAEAAQIAAgMAAwQABAUABQYABQcABwgAQgAAAAAXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:04:53Z</structure-indexed-at> </compound>