• Identifiers

    CAS number
    637-78-5

    Molecular formula
    C6H12O2

    SMILES
    CCC(=O)OC(C)C

    Retention indicies (RI)

    • Carbowax: 950.0
  • Odor profile

    fruity 98.13%
    sweet 85.73%
    ethereal 76.85%
    pineapple 69.83%
    banana 66.66%
    apple 59.97%
    rummy 58.45%
    pear 43.57%
    tropical 43.01%
    ripe 42.76%

    Scent© AI

  • Properties

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

    Molecular weight
    116.16 g/mol

    Boiling points

    • 108.00 to 111.00 °C. @ 760.00 mm Hg

    Solubilities

    • 5.95 mg/mL at 25 °C
    • completely miscible with alcohol and diluted alcohol

  • Synonyms

    • ISOPROPYL PROPIONATE
    • 637-78-5
    • Propanoic acid, 1-methylethyl ester
    • Isopropyl propanoate
    • propan-2-yl propanoate
    • Propionic acid, isopropyl ester
    • 1-Methylethyl propanoate
    • Propionic Acid Isopropyl Ester
    • iso-Propyl propanoate
    • FEMA No. 2959
    • iso-Propyl n-propionate
    • UNII-NGB0AK08T9
    • NGB0AK08T9
    • 2-propyl propionate
    • iso-propyl propionate
    • C2H5C(O)OCH(CH3)2
    • Isopropyl ester of propanoic acid
    • EINECS 211-300-8
    • DTXSID6060927
    • FEMA 2959
    • ISOPROPYL PROPIONATE [FHFI]
    • UN 2409
    • ISOPROPYLPROPIONATE
    • MFCD00051553
    • UN2409
    • Isopropyl propionic acid
    • Propan-2-yl propanoic acid
    • SCHEMBL128684
    • DTXCID1044069
    • CHEBI:89827
    • Isopropyl propionate, AldrichCPR
    • AKOS006228948
    • LS-13179
    • NS00022603
    • P0507
    • Isopropyl propionate [UN2409] [Flammable liquid]
    • Isopropyl propionate [UN2409] [Flammable liquid]
    • Q27162015
    • 211-300-8
1 of 4
Name CAS Botanical Proportion
Tagetes (India) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.33%