Isobutyl 2-methylbutyrate

  • Identifiers

    CAS mumber
    2445-67-2

    Molecular formula
    C9H18O2

    SMILES
    CCC(C)C(=O)OCC(C)C

    Retention indicies (RI)

    • DB5: 1010.0
    • Carbowax: 1171.0

  • Properties

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

    Molecular weight
    158.24 g/mol

  • Synonyms

    • Iso-Butyl-2-Methylbutyrate
    • 2445-67-2
    • Isobutyl 2-methylbutyrate
    • 2-methylpropyl 2-methylbutanoate
    • Isobutyl 2-methylbutanoate
    • Butanoic acid, 2-methyl-, 2-methylpropyl ester
    • Butyric acid, 2-methyl-, isobutyl ester
    • 2-methylpropyl 2-methylbutyrate
    • 88RJ33L6G3
    • EINECS 219-492-5
    • Isobutyl 2-methyIbutyrate
    • iso-Butyl 2-methyl butyrate
    • UNII-88RJ33L6G3
    • WE(3:0(2Me)/4:0(2Me))
    • AI3-33627
    • DTXSID20862945
    • 2-Methyl-1-propyl 2-methylbutyrate
    • 2-Methylbutanoic acid 2-methyl propyl ester
    • ISOBUTYL 2-METHYLBUTYRATE, (+/-)-
    • ISOBUTYL-2-METHYLBUTYRATE
    • isobutyl 2-methyl butyrate
    • ISOBUTYL METHYLBUTYRATE
    • Isobutyl-2-methylbutyric acid
    • BUTANOIC ACID,2-METHYL-, 2-METHYLPROPYL ESTER
    • SCHEMBL1171356
    • DTXCID50811643
    • CHEBI:179887
    • LMFA07010568
    • AKOS006242617
    • DB-003689
    • CS-0450078
    • NS00012684
    • E79267
    • 219-492-5
1 3

Botanical

Name CAS Botanical Proportion
Achillea wilhelmsii (Egypt) Achillea wilhelmsii C. Koch (A. santolina Auct. Mult.), fam. Asteraceae 0.05%
Myrtle leaf, cultivated (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.32%
Myrtle leaf, wildgrowing (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.4%
Roman chamomile (Italy) 2 (headspace) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.8%
Ziziphora hispanica Ziziphora hispanica L., fam. Lamiaceae (Labiatae) 0.55%
Roman chamomile (Japan) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 1.04%
Myrtle leaf (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.4%
Myrtle flower (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.16%
Myrtle unripe fruits (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.25%
Myrtle ripe fruits (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.07%
Myrtle leaf (Morocco) 3 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.2%
Myrtle leaf (Albania) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.03%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 4.09%
Myrtle leaf (France) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.4%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.45%
Roman chamomile 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 2.5%
Tansy, moroccan (Morocco) 1 Tanacetum annuum L., fam. Asteraceae (Compositae) 0.4%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.05%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.1%