Isobutyl formate

  • Identifiers

    CAS number
    542-55-2

    Molecular formula
    C5H10O2

    SMILES
    CC(C)COC=O

    Retention indicies (RI)

    • Carbowax: 955.0

  • Odor profile

    fruity 96.42%
    ethereal 81.11%
    sweet 70.19%
    rummy 58.49%
    green 57.69%
    apple 55.65%
    banana 49.26%
    winey 47.33%
    fresh 46.4%
    pineapple 41.89%

    Scent© AI

  • Properties

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

    Molecular weight
    102.13 g/mol

    Melting points

    • -95 °C

    Boiling points

    • 97.00 to 99.00 °C. @ 760.00 mm Hg

    Flash points

    • less than 70 °F (NFPA, 2010)

    Solubilities

    • 10.2 mg/mL at 25 °C
    • miscible with alcohol, ether; soluble in organic solvents; slightly soluble in water

  • Synonyms

    • ISOBUTYL FORMATE
    • 542-55-2
    • 2-Methylpropyl formate
    • Formic acid, 2-methylpropyl ester
    • Tetryl formate
    • Isobutyl methanoate
    • Formic acid, isobutyl ester
    • Iso-butyl formate
    • 2-Methyl-1-propyl formate
    • Isobutyl methanote
    • Isobutyl formate (natural)
    • FEMA No. 2197
    • NSC 6968
    • Isobutylester kyseliny mravenci
    • UNII-6OCL1KXH0Q
    • 6OCL1KXH0Q
    • EINECS 208-818-1
    • UN2393
    • BRN 1738888
    • AI3-24240
    • Isobutyl formate, 8CI
    • NSC-6968
    • Formic Acid Isobutyl Ester
    • 2-Methylpropyl formate, 9CI
    • ISOBUTYL FORMATE [MI]
    • ISOBUTYL FORMATE [FCC]
    • ISOBUTYL FORMATE [FHFI]
    • DTXSID7060257
    • FEMA 2197
    • 4-02-00-00029 (Beilstein Handbook Reference)
    • UN 2393
    • Isobutylester kyseliny mravenci [Czech]
    • MFCD00003293
    • 2Methylpropyl formate
    • 2-methylpropyl ormate
    • 2Methyl1propyl formate
    • Isobutyl formate, 97%
    • 2-Methylpropyl formic acid
    • Isobutyl formate [UN2393] [Flammable liquid]
    • SCHEMBL25812
    • WLN: VHO1Y1&1
    • DTXCID1041631
    • Formic acid, 2methylpropyl ester
    • Isobutyl formate, >=95%, FG
    • NSC6968
    • CHEBI:173348
    • AKOS015903490
    • AS-87370
    • DB-052524
    • F0055
    • NS00012676
    • Isobutyl formate [UN2393] [Flammable liquid]
    • Q6085377
    • 208-818-1
1 4

Botanical

Name CAS Botanical Proportion
Basil (Italy) 2 var. hispidum Ocimum basilicum L. cultivar hispidum (Lam.) Chiov., fam. Lamiaceae 0.06%
Basil, var. hispidum (Somalia) Ocimum basilicum L. cultivar hispidum, fam. Lamiaceae (Labiatae) 0.06%