4-Methyl-3-penten-2-one

  • Identifiers

    CAS number
    141-79-7

    Molecular formula
    C6H10O

    SMILES
    CC(=CC(=O)C)C

    Retention indicies (RI)

    • Carbowax: 1118.0

  • Odor profile

    sweet 57.35%
    mint 56.53%
    pungent 54.86%
    nutty 53.71%
    musty 53.1%
    woody 51.6%
    herbal 50.79%
    green 47.85%
    ketonic 47.59%
    earthy 47.31%

    Scent© AI

  • Properties

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

    Molecular weight
    98.14 g/mol

    Melting points

    • -51 °F (USCG, 1999)
    • -59 °C
    • MP: -41.5 °C (also reported as -59 °C); can be made to crystallize at low temp in petroleum ether
    • -41.5 °C
    • -52 °F

    Boiling points

    • 266 °F at 760 mmHg (USCG, 1999)
    • 130 °C at 760 mm Hg
    • 130 °C
    • 266 °F

    Flash points

    • 73 °F (USCG, 1999)
    • 31 °C
    • 87 °F (31 °C) (Closed cup)
    • 25 °C c.c.
    • 87 °F

    Solubilities

    • 3 % (NIOSH, 2024)
    • Sol in about 30 parts water; miscible with most org liq
    • Miscible in ethanol, ethyl ether
    • SLIGHTLY SOL IN PROPYLENE GLYCOL
    • In water, 28,900 mg/L at 20 °C
    • 28.9 mg/mL at 20 °C
    • Solubility in water, g/100ml at 20 °C: 3.0 (moderate)
    • slightly soluble inwater; miscible in organic solvents
    • Miscible at room temperature (in ethanol)
    • 3%

  • Synonyms

    • MESITYL OXIDE
    • 141-79-7
    • 4-Methylpent-3-en-2-one
    • 4-Methyl-3-penten-2-one
    • 3-Penten-2-one, 4-methyl-
    • Methyl isobutenyl ketone
    • Isopropylideneacetone
    • Isobutenyl methyl ketone
    • Mesityloxid
    • Mesityloxyde
    • Ossido di mesitile
    • 3-Isohexen-2-one
    • Isopropylidene acetone
    • Oxyde de mesityle
    • Acetone, isopropylidene-
    • Methyl 2-methyl-1-propenyl ketone
    • Methyl 2,2-dimethylvinyl ketone
    • 2-Methyl-4-oxo-2-pentene
    • 2-Methyl-2-pentenone-4
    • 4-Metil-3-penten-2-one
    • 2,2-Dimethylvinyl methyl ketone
    • 4-Methyl-3-pentene-2-one
    • 4-Methyl-3-penten-2-on
    • Mesityloxid [German]
    • Mesityloxyde [Dutch]
    • 2-Methyl-2-penten-4-one
    • Caswell No. 547
    • FEMA No. 3368
    • FEMA Number 3368
    • Oxyde de mesityle [French]
    • Ossido di mesitile [Italian]
    • NSC 38717
    • HSDB 1195
    • 4-Methyl-3-penten-2-one, 9CI
    • EINECS 205-502-5
    • 4-Metil-3-penten-2-one [Italian]
    • UN1229
    • EPA Pesticide Chemical Code 052401
    • BRN 1361550
    • Isopropylidene-Acetone
    • DTXSID1029170
    • 4-Methyl-3-penten-2-on [Dutch, German]
    • AI3-07702
    • (CH3)2C=CHC(=O)CH3
    • NSC-38717
    • 77LAC84669
    • MESITYL OXIDE [MI]
    • 1-Methylpent-2-en-4-one
    • 4-methyl-pent-3-en-2-one
    • MESITYL OXIDE [HSDB]
    • DTXCID209170
    • CHEBI:89993
    • FEMA 3368
    • EC 205-502-5
    • 4-Methyl-3-penten-2-one (mesityl oxide)
    • 4-METHYL-3-PENTENE-2-ONE [FHFI]
    • TEICOPLANIN IMPURITY A [EP IMPURITY]
    • 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE
    • MESITYLOXID (GERMAN)
    • MESITYLOXYDE (DUTCH)
    • CILASTATIN SODIUM IMPURITY D [EP IMPURITY]
    • OXYDE DE MESITYLE (FRENCH)
    • OSSIDO DI MESITILE (ITALIAN)
    • CAS-141-79-7
    • 4-METIL-3-PENTEN-2-ONE (ITALIAN)
    • TEICOPLANIN IMPURITY A (EP IMPURITY)
    • 4-Methyl-3-penten-2-on (DUTCH, GERMAN)
    • 1-ISOBUTENYL METHYL KETONE (MESITYL OXIDE)
    • 1-ISOBUTENYL METHYL KETONE {MESITYL OXIDE}
    • CILASTATIN SODIUM IMPURITY D (EP IMPURITY)
    • 1-Isobutenyl methyl ketone
    • 3Isohexen2one
    • 4-Methylpent-3-en-2-one; Mesityl oxide; Cilastatin Sodium Imp. D (EP)
    • UNII-77LAC84669
    • 4Methyl3penten2on
    • 4Metil3penten2one
    • 2Methyl2pentenone4
    • 4Methyl3penten2one
    • Mesityloxid(german)
    • 2Methyl4oxo2pentene
    • MFCD00008900
    • Acetone, isopropylidene
    • 3Penten2one, 4methyl
    • Mesityl oxide [UN1229] [Flammable liquid]
    • 2-methylpent-2-en-4-one
    • Mesityl oxide (ACGIH:OSHA)
    • Methyl 2methyl1propenyl ketone
    • 2,2Dimethylvinyl methyl ketone
    • Methyl 2,2dimethylvinyl ketone
    • CHEMBL3185916
    • WLN: 1Y1 & U1V1
    • 4-Methyl-3-penten-2-one, 90%
    • NSC38717
    • Tox21_202080
    • Tox21_303606
    • LMFA12000030
    • STL146350
    • Mesityl oxide, technical grade, 90%
    • AKOS000118892
    • FM00482
    • UN 1229
    • NCGC00249161-01
    • NCGC00257514-01
    • NCGC00259629-01
    • 4-Methyl-3-penten-2-on(DUTCH, GERMAN)
    • M0069
    • M1340
    • NS00006985
    • EN300-21333
    • Mesityl oxide [UN1229] [Flammable liquid]
    • 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE
    • A807813
    • Q425668
    • 4-Methyl-3-penten-2-one, analytical reference material
    • Mesityl oxide, 99%, mixture of alpha and beta isomers
    • Mesityl oxide, European Pharmacopoeia (EP) Reference Standard
    • MESITYL OXIDE, MIXTURE OF ALPHA-AND BETA-ISOMERS (CA 93% ALPHA)
    • Mesityl Oxide, Pharmaceutical Secondary Standard; Certified Reference Material
    • Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98%
    • Methyl 2,2-dimethylvinyl ketone;Methyl isobutenyl ketone;Isopropylideneacetone
    • 205-502-5
1 4

Botanical

Name CAS Botanical Proportion
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.4%