Isobutyl isovalerate

  • Identifiers

    CAS mumber
    589-59-3

    Molecular formula
    C9H18O2

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

    Retention indicies (RI)

    • DB5: 1003.0
    • Carbowax: 1184.0

  • Properties

    XLogP3-AA
    2.7 Well soluble in DEP, BB, MMB

    Molecular weight
    158.24 g/mol

    Boiling points

    • 168.50 °C. @ 760.00 mm Hg

    Solubilities

    • miscible with alcohol

  • Hồ sơ mùi hương

    Scent© AI

    Odor Probability
    fruity 97.91%
    apple 79.29%
    sweet 70.4%
    pineapple 68.85%
    banana 64.78%
    green 59.28%
    ethereal 51.03%
    ripe 48.43%
    tropical 47.5%
    pear 44.34%

  • Synonyms

    • ISOBUTYL ISOVALERATE
    • 589-59-3
    • 2-Methylpropyl 3-methylbutanoate
    • Butanoic acid, 3-methyl-, 2-methylpropyl ester
    • Isovaleric acid, isobutyl ester
    • 2-Methylpropyl 3-methylbutyrate
    • Isobutylisovalerate
    • 2-Methylpropyl isovalerate
    • Isobutyl isopentanoate
    • Isobutyl 3-methylpropanoate
    • Isobutyl isovalerate (natural)
    • FEMA No. 3369
    • NSC 6993
    • Isovaleric Acid Isobutyl Ester
    • 2-methylpropyl-3-methylbutyrate
    • Isobutyl 3-methylbutanoate
    • EINECS 209-653-8
    • UNII-6VCJ0UB168
    • BRN 1702649
    • 6VCJ0UB168
    • AI3-33586
    • NSC-6993
    • MFCD00048349
    • DTXSID5060431
    • FEMA 3369
    • ISOBUTYL ISOVALERATE [MI]
    • 2-METHYL PROPYL 3-METHYL BUTYRATE
    • 2-METHYLPROPYL 3-METHYLBUTYRATE [FHFI]
    • 2-METHYL PROPYL 3-METHYL BUTYRATE [FCC]
    • 3-Methylbutanoic acid 2-methylpropyl ester
    • Butyl isovalerate, natural
    • Isobutyl 3-methyl butyrate
    • SCHEMBL128660
    • DTXCID6042494
    • CHEBI:89086
    • NSC6993
    • WLN: 1Y1&1VO1Y1&1
    • 2-Methylpropyl 3-methylbutanoic acid
    • LMFA07010727
    • AKOS024437963
    • Isobutyl isovalerate, >=98.0% (GC)
    • LS-13709
    • DB-053295
    • CS-0199173
    • I0197
    • NS00012680
    • E79207
    • Isobutyl isovalerate, natural (US), >=99%, FG
    • Q27161264
    • 209-653-8
1 3

Botanical

Name CAS Botanical Proportion
Eriocephalus punctualis Eriocephalus punctualis DC., fam. Eriocaulaceae 1.0%
Michelia balansae flower headspace (China) Michelia balansae (A. DC.) Dandy, fam. Magnoliaceae 0.17%
Roman chamomile (Italy) 6 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.15%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.1%