6178 <common-name>CELLULOSE TRIACETATE</common-name> <description>CELLULOSE TRIACETATE (C40H54O27) is an organic oxygen compound. CELLULOSE TRIACETATE belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 966.85 g/mol, CELLULOSE TRIACETATE is a heavy molecule. This substance is found in or released from two recorded sources: antennas in electrical and electronic equipment, and ceilings in building and construction.</description> <cas>9012-09-3</cas> <pubchem-id>230396</pubchem-id> <chemical-formula>C40H54O27</chemical-formula> <weight>966.8</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">2016-05-19T01:57:51Z</created-at> <updated-at type="dateTime">2026-08-22T14:04:36Z</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>[H][C@]1(COC(C)=O)O[C@@]([H])(O[C@]2([H])[C@@]([H])(COC(C)=O)O[C@@]([H])(O[C@]3([H])[C@@]([H])(COC(C)=O)O[C@@]([H])(OC(C)=O)[C@]([H])(OC(C)=O)[C@@]3([H])OC(C)=O)[C@]([H])(OC(C)=O)[C@@]2([H])OC(C)=O)[C@]([H])(OC(C)=O)[C@@]([H])(OC(C)=O)[C@]1([H])OC(C)=O</moldb-smiles> <moldb-formula>C40H54O27</moldb-formula> <moldb-inchi>InChI=1S/C40H54O27/c1-15(41)52-12-26-29(55-18(4)44)32(56-19(5)45)36(60-23(9)49)39(64-26)67-31-28(14-54-17(3)43)65-40(37(61-24(10)50)34(31)58-21(7)47)66-30-27(13-53-16(2)42)63-38(62-25(11)51)35(59-22(8)48)33(30)57-20(6)46/h26-40H,12-14H2,1-11H3/t26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+/m1/s1</moldb-inchi> <moldb-inchikey>NNLVGZFZQQXQNW-ADJNRHBOSA-N</moldb-inchikey> <moldb-average-mass type="decimal">966.845</moldb-average-mass> <moldb-mono-mass type="decimal">966.285246479</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.1</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>CHEM005073</chemdb-id> <dsstox-id>DTXSID30892177</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00129454</susdat-id> <iupac>[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate</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>1.46</moldb-alogps-logp> <moldb-alogps-logs>-3.63</moldb-alogps-logs> <moldb-alogps-solubility>2.28e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbohydrates and carbohydrate conjugates</subklass> <paper-count type="integer">557</paper-count> <sync-id>CED0007273</sync-id> <structure-inchikey>NNLVGZFZQQXQNW-ADJNRHBOSA-N</structure-inchikey> <structure-fingerprint>280000800000000000000010000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000004000040000080000000000200000000020800400000100000000000000000000000000010000000002000000000000000000000000000800000000000000500010000040000400000000000200800000000040100000000000000000000008000000002010000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000440000002000000400000000000000000</structure-fingerprint> 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