Methyl 2-methylbutyrate

  • Identifiers

    CAS number
    868-57-5

    Molecular formula
    C6H12O2

    SMILES
    CCC(C)C(=O)OC
    OO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 776.0
    • Carbowax: 1012.83

  • Odor profile

    fruity 98.3%
    sweet 81.51%
    apple 72.67%
    pineapple 70.44%
    tropical 67.95%
    green 67.88%
    ethereal 64.97%
    banana 63.1%
    rummy 50.05%
    ripe 49.82%

    Scent© AI

  • Properties

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

    Molecular weight
    116.16 g/mol

    Solubilities

    • soluble in alcohol, most fixed oils; insoluble in water

  • Synonyms

    • Methyl 2-methylbutyrate
    • 868-57-5
    • METHYL 2-METHYLBUTANOATE
    • Butanoic acid, 2-methyl-, methyl ester
    • METHYL2-METHYLBUTYRATE
    • Butyric acid, 2-methyl-, methyl ester
    • Methyl DL-2-Methylbutyrate
    • Methyl anteisovalerate
    • Methyl (S)-2-Methylbutanoate
    • FEMA No. 2719
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Annual wormwood (China) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.01%
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.1%
Calamintha nepeta (Turkey) 2 Calamintha nepeta (L.) Savi ssp. glandulosa (Req.) P.W.Ball, fam.Lamiaceae 0.01%
Origanum syriacum (Turkey) 2 Origanum syriacum L. var. bevanii (Holmes) Ietswaart, fam. Lamiaceae 0.01%
Marjoram, sweet (Turkey) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.06%
Michelia alba flower headspace (China) Michelia alba DC., fam. Magnoliaceae 43.59%
Jasmine rose flower headspace (China) 1 Gardenia jasminoides Ellis, fam. Rubiaceae 0.14%
Oregano, greek 2 84012-24-8 Origanum vulgare L. ssp. hirtum (Link) Ietsw., fam. Lamiaceae (Labiatae) 0.07%
Oregano, greek (Turkey) 2 84012-24-8 Origanum vulgare L. ssp. hirtum (Link) Ietsw., fam. Lamiaceae (Labiatae) 0.07%
Oregano, spanish (Turkey) 8007-11-2 Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae 0.03%
Calamintha incana (Turkey) Calamintha incana (Sm.) Boiss., fam. Lamiaceae (Labiatae) 0.03%
Lemon verbena (Turkey) Aloysia triphylla (L'Herit.) Britton, fam. Verbenaceae 0.2%
Calanthe sieboldii flower headspace (Japan) Calanthe sieboldii, fam. Orchidaceae 0.3%
Samurai orchid (Neofinetia) Neofinetia falcata, fam. Orchidaceae 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.3%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 1.13%
Niaouli (India) Melaleuca quinquenervia (Cav.) S.T. Blake, fam. Myrtaceae 0.05%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.1%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.1%