Isobutyl angelate

  • Identifiers

    CAS mumber
    7779-81-9

    Molecular formula
    C9H16O2

    SMILES
    C/C=C(/C)\C(=O)OCC(C)C

    Retention indicies (RI)

    • Carbowax: 1289.0

  • Properties

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

    Molecular weight
    156.22 g/mol

    Boiling points

    • 176.00 to 177.00 °C. @ 760.00 mm Hg

    Solubilities

    • very slightly
    • Insoluble in water; soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • Isobutyl angelate
    • 7779-81-9
    • Angelic Acid Isobutyl Ester
    • 2-methylpropyl (Z)-2-methylbut-2-enoate
    • Angelic acid, isobutyl ester
    • FEMA No. 2180
    • 2-Methylpropyl angelate
    • Isobutyl cis-2-methyl-2-butenoate
    • (Z)-isobutyl 2-methylbut-2-enoate
    • Isobutyl 2-methylisocrotonate
    • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (2Z)-
    • 7OR98SJS39
    • 2-Methylpropyl 2-methyl-2-butenoate, (Z)-
    • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (Z)-
    • Isobutyl 2-methylcrotonoate, (Z)-
    • EINECS 231-941-7
    • Crotonic acid, 2-methyl-, isobutyl ester, (Z)-
    • 2-methylpropyl (2Z)-2-methylbut-2-enoate
    • ISOBUTYL ANGELATE [FHFI]
    • DTXSID40884422
    • Isobutyl (Z)-2-Methyl-2-butenoate
    • iso-Butyl tiglate
    • ISOBUTYLANGELATE
    • UNII-7OR98SJS39
    • MFCD00063646
    • (Z)-2-Methyl-2-butenoic Acid Isobutyl Ester
    • SCHEMBL873046
    • Isobutyl 2-methyl-2-butenoate
    • ISOBUTYL ANGELATE [INCI]
    • FEMA 2180
    • CHEBI:171755
    • DTXCID601023863
    • LMFA07010916
    • Isobutyl (2Z)-2-methyl-2-butenoate
    • AKOS025295741
    • 2-Methylisocrotonic Acid Isobutyl Ester
    • BS-23581
    • A1127
    • CS-0207485
    • NS00080668
    • SFE 3:0(2Me)/4:1(2Z)(2Me)
    • SFE(3:0(2Me)/4:1(2Z)(2Me))
    • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester
    • Q27268651
1 3

Botanical

Name CAS Botanical Proportion
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 3.44%
Roman chamomile (Italy) 1 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 12.0%
Helichrysum italicum (Yugoslavia) 8023-95-8 Helichrysum italicum (Roth) G. Don (H. angustifolium D.C.), fam.Asteraceae 0.2%
Roman chamomile (Italy) 3 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 36.0%
Roman chamomile (Italy) 2 (headspace) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 36.5%
Roman chamomile (Italy) 4 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 37.41%
Roman chamomile (Egypt) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 33.94%
Roman chamomile (England) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 13.01%
Roman chamomile (Japan) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 35.92%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 4.03%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 28.52%
Roman chamomile 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 14.3%
Roman chamomile (Italy) 6 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 37.35%