<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">7527</id>
  <title nil="true"/>
  <common-name>MENTHYL PROPYLENE GLYCOL CARBONATE</common-name>
  <description>MENTHYL PROPYLENE GLYCOL CARBONATE (C14H26O4) is an organic compound with an average molecular weight of 258.36 g/mol. MENTHYL PROPYLENE GLYCOL CARBONATE belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. In industrial applications, this compound serves as a nutrient and a flavouring agent.</description>
  <cas>156324-82-2</cas>
  <pubchem-id>10199055</pubchem-id>
  <chemical-formula>C14H26O4</chemical-formula>
  <weight>258.35</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">2016-05-19T02:13:29Z</created-at>
  <updated-at type="dateTime">2026-08-28T09:57:25Z</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>DB14136</drugbank-id>
  <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>[H]C(C)(O)COC(=O)O[C@]1([H])C[C@]([H])(C)CC[C@@]1([H])C(C)C</moldb-smiles>
  <moldb-formula>C14H26O4</moldb-formula>
  <moldb-inchi>InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1</moldb-inchi>
  <moldb-inchikey>FLYJSXDJKBHQAU-IBSWDFHHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">258.358</moldb-average-mass>
  <moldb-mono-mass type="decimal">258.183109317</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.45</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>8374555</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>CHEM006422</chemdb-id>
  <dsstox-id>DTXSID70888756</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00009298</susdat-id>
  <iupac>1-[({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)oxy]propan-2-ol</iupac>
  <moldb-polar-surface-area>55.760000000000005</moldb-polar-surface-area>
  <moldb-refractivity>68.9315</moldb-refractivity>
  <moldb-polarizability>29.72397579350612</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>14.824444173626848</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.8755881184556165</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>3.18</moldb-alogps-logp>
  <moldb-alogps-logs>-3.12</moldb-alogps-logs>
  <moldb-alogps-solubility>1.94e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0023934</sync-id>
  <structure-inchikey>FLYJSXDJKBHQAU-IBSWDFHHSA-N</structure-inchikey>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:02:55Z</structure-indexed-at>
</compound>
