3-Pentanone

  • Identifiers

    CAS mumber
    96-22-0

    Molecular formula
    C5H10O

    SMILES
    CCC(=O)CC

    Retention indicies (RI)

    • DB5: 681.0
    • Carbowax: 982.33

  • Properties

    XLogP3-AA
    0.9 Well soluble in MMB, TEC, DEP

    Molecular weight
    86.13 g/mol

    Melting points

    • -44 °F (USCG, 1999)
    • -39 °C
    • -39 °C
    • -44 °F
    • -44 °F

    Boiling points

    • 216 °F at 760 mmHg (USCG, 1999)
    • 101.7 °C
    • 102 °C
    • 215 °F
    • 215 °F

    Flash points

    • 55 °F (USCG, 1999)
    • 13 °C
    • 13 °C (open cup)
    • 13 °C o.c.
    • 55 °F (open cup)
    • (oc) 55 °F

    Solubilities

    • 5 % (NIOSH, 2024)
    • Solubility at 20 °C: 2.6 wt% water in 3-pentanone
    • Miscible with ethanol, ether; soluble in carbon tetrachloride
    • In water, 47,000 mg/L at 20 °C; 38,000 mg/L at 100 °C
    • In water, 4.589X10+4 mg/L at 25 °C
    • Solubility in water, g/100ml at 25 °C: 3,9 (soluble)
    • 5%

  • Synonyms

    • 3-PENTANONE
    • Pentan-3-one
    • Diethyl ketone
    • 96-22-0
    • Ethyl ketone
    • Dimethylacetone
    • Methacetone
    • Propione
    • Metacetone
    • Pentanone-3
    • Diethylcetone
    • DIETHYLKETONE
    • Ethyl propionyl
    • NSC 8653
    • HSDB 5301
    • UNII-9SLZ98M9NK
    • EINECS 202-490-3
    • UN1156
    • 1-pentan-3-one
    • 1,3-Dimethylacetone
    • DTXSID6021820
    • CHEBI:87755
    • AI3-24337
    • NSC-8653
    • DIETHYL KETONE [MI]
    • 3-PENTANONE [HSDB]
    • 9SLZ98M9NK
    • DTXCID301820
    • DEK
    • (C2H5)2CO
    • EC 202-490-3
    • UN 1156
    • Diethylcetone [French]
    • dimethyl acetone
    • diethylketon
    • 3pentanone
    • di-ethyl ketone
    • Pentanone3
    • 3-pentanon
    • 3-penta none
    • ethyl ethyl ketone
    • MFCD00009320
    • Diethyl ketone (ACGIH)
    • ZED 2EK
    • 3-Pentanone, >=99%
    • CHEMBL45315
    • WLN: 2V2
    • 3-Pentanone, analytical standard
    • 3-Pentanone, for HPLC, 96%
    • NSC8653
    • Tox21_200677
    • BBL027755
    • LMFA12000001
    • STL281851
    • AKOS000119714
    • CAS-96-22-0
    • 3-Pentanone, ReagentPlus(R), >=99%
    • NCGC00166068-01
    • NCGC00166068-02
    • NCGC00258231-01
    • 3-Pentanone 100 microg/mL in Acetonitrile
    • NS00005016
    • P0061
    • EN300-20108
    • Diethyl ketone [UN1156] [Flammable liquid]
    • 3-Pentanone, ReagentPlus(R), >=99.0% (GC)
    • A845564
    • Q223112
    • F0001-2290
    • Z104476878
1 3

Botanical

Name CAS Botanical Proportion
Chloranthus spicatus flower head space Chloranthus spicatus (Thunb.) Makino, fam. Chloranthaceae 0.13%
Helichrysum italicum (France-Corsica) 8025-95-8 Helichyrsum italicum (Roth) G. Don ssp.italicum, fam. Asteraceae (Compos.) 0.2%