Isoamyl isovalerate

  • Identifiers

    CAS mumber
    659-70-1

    Molecular formula
    C10H20O2

    SMILES
    CC(C)CCOC(=O)CC(C)C

    Retention indicies (RI)

    • DB5: 1105.6
    • Carbowax: 1294.67

  • Properties

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

    Molecular weight
    172.26 g/mol

    Boiling points

    • 190.00 to 191.00 °C. @ 760.00 mm Hg

    Solubilities

    • Soluble in most fixed oils, slightly soluble in propylene glycol, insoluble in water
    • 1ml in 6ml 70% ethanol (in ethanol)

  • Synonyms

    • ISOAMYL ISOVALERATE
    • 659-70-1
    • Isopentyl 3-methylbutanoate
    • 3-Methylbutyl 3-methylbutanoate
    • Isopentyl isopentanoate
    • Solusterol
    • iso-Amyl isovalerate
    • Isopentyl isovalerate
    • Isoamyl valerianate
    • Apple essence
    • 3-Methylbutyl isovalerate
    • Butanoic acid, 3-methyl-, 3-methylbutyl ester
    • Isovaleric acid, isopentyl ester
    • Isoamyl 3-methylbutanoate
    • Isopentyl 3-methylbutyrate
    • Isoamyl 3-methylbutyrate
    • Isoamyl isopentanoate
    • Isoamyl isovalerianate
    • 3-Methylbutyl 3-methylbutyrate
    • Isopentyl alcohol, isovalerate
    • FEMA No. 2085
    • NSC 6565
    • Isoamyl isovalerate (natural)
    • CCRIS 1348
    • EINECS 211-536-1
    • 16M1VA1FJY
    • Isovaleric Acid Isoamyl Ester
    • BRN 1753884
    • DTXSID8044757
    • AI3-06045
    • NSC-6565
    • 3-methylbutanoic acid 3-methylbutyl ester
    • DTXCID6024757
    • ISOAMYL ISOVALERATE [MI]
    • CHEBI:31727
    • XINCECQTMHSORG-UHFFFAOYSA-
    • ISOAMYL ISOVALERATE [FCC]
    • ISOAMYL ISOVALERATE [FHFI]
    • UNII-16M1VA1FJY
    • isoamyl_isovalerate
    • MFCD00048369
    • iso-amyl iso-valerate
    • Isopentyl 3-methylbutanoate #
    • SCHEMBL113763
    • Isovaleric Acid Isopentyl Ester
    • CHEMBL3189076
    • FEMA 2085
    • NSC6565
    • Tox21_301620
    • WLN: 1Y1&2OV1Y1&1
    • LMFA07010919
    • AKOS015907822
    • (3-methyl-1-butyl) 3-methylbutanoate
    • Isoamyl isovalerate, >=98%, FCC, FG
    • NCGC00256163-01
    • AS-59218
    • CAS-659-70-1
    • 3-methyl-butyric acid 3-methyl-butyl ester
    • I0196
    • NS00012660
    • D97798
    • Isoamyl isovalerate, natural, >=98%, FCC, FG
    • A835290
    • Q11066025
    • 211-536-1
1 3

Botanical

Name CAS Botanical Proportion
Achillea wilhelmsii (Egypt) Achillea wilhelmsii C. Koch (A. santolina Auct. Mult.), fam. Asteraceae 0.3%
Achillea wilhelmsii (Turkey) Achillea wilhelmsii C. Koch (A. santolina Auct. Mult.), fam. Asteraceae 0.05%
Angelica root (Finland) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.02%
Lanyana (Oregon-USA) Artemisia afra Jacq., fam. Asteraceae (Compositae) 1.6%
Eucalyptus globulus (Spain) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.02%
Peppermint (USA) 2 8006-90-4 Mentha piperita L. cultivar Mitcham, fam. Lamiaceae (Labiatae) 0.1%
Vitex limonifolia leaf Vitex limonifolia Wall., fam. Verbenaceae 0.1%
Eucalyptus paniculata (Uruguay) Eucalyptus paniculata Sm., fam. Myrtaceae 0.9%
Micromyrtus striata Micromyrtus striata J.W. Green (M. ciliata (Sm) Druce), fam. Myrtaceae 43.0%
Eucalyptus pellita Eucalyptus pellita Benth., fam. Myrtaceae 0.02%
Vitex trifolia (Thailand) Vitex trifolia L., fam. Verbenaceae 0.01%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.05%
Pistacia lentiscus (Spain) 1b unripe fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.04%
Pistacia lentiscus (Spain) 1c ripe fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.02%
Santolina chamaecyparisus (Egypt) 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.03%
Cornmint (Mentha arvensis) (India) 3 Shivalik 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.03%
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Daylily, Headspace Living Flower 1 Hemerocallis minor hybrid, fam. Liliaceae 0.82%
Valerian, Living Flowers Valeriana officinalis L., fam. Valerianaceae 1.34%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 1.23%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Eucalyptus globulus (Portugal) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Artemisia afra Willd. (Kenia) Artemisia afra Willd., fam. Asteraceae (Compositae) 0.01%
Satureja boliviana (Peru) 2 Satureja boliviana Briq. (Micromeria boliviana Benth.), fam. Lamiaceae 0.01%
Satureja brevicalix (Peru) Satureja brevicalix Epl., fam. Lamiaceae (Labiatae) 0.01%
Pelargonium sidoides Pelargonium sidoides DC., fam. Geraniaceae 0.01%
Tagetes filifolia (Peru) Tagetes filifolia Lag., fam. Asteraceae (Compositae) 0.01%
Cypress, Leyland (Poland) Cupressocyparis leylandii (Dall. et Jacks.) Dall., fam. Cupressaceae 0.01%
Pistacia lentiscus (Spain) 3 whole plant 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.3%
Manuka (New Zealand) 2 Leptospermum scoparium J.R. et G. Forst., fam. Myrtaceae 0.3%
Manuka (New Zealand) 1 Leptospermum scoparium J.R. et F. Forst., fam. Myrtaceae 0.13%
Juniper leaf (Sweden) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.1%
Eucalyptus globulus (Spain) 2a old leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.09%
Eucalyptus globulus (Spain) 2b young leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.04%
Eucalyptus globulus (Spain) 2c mature fruits 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.46%
Eucalyptus globulus (Yugoslavia) 1b flower buds 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.05%
Eucalyptus globulus (Yugoslavia) 1c branches 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Eucalyptus globulus (Australia) 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Eucalyptus botryoides (Rwanda) Eucalyptus botyroides Sm., fam. Myrtaceae 0.04%
Eucalyptus globulus (Italy) 1a hydrodistiled 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.2%
Eucalyptus globulus (Italy) 1b CO2-extract 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.4%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0.7%
Angelica (sativa) fruit 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.02%
Vernonia chalybaea Vernonia chalybaea Mart., fam. Asteraceae (Compositae) 0.3%
Tanacetum balsamita Tanacetum balsamita L., fam. Asteraceae (Compositae) 0.05%
Peppermint (Mexico) 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.01%
Peppermint (Bulgaria) 4b extracted 8006-90-4 Mentha piperita L. cultivar 'Kliment-63', fam. Lamiaceae (Labiatae) 0.1%
Peppermint (Bulgaria) 5a hydrodistilled 8006-90-4 Mentha piperita L. cultivar 'Zefir', fam. Lamiaceae (Labiatae) 0.1%
Peppermint (Bulgaria) 5b extracted 8006-90-4 Mentha piperita L. cultivar 'Zefir', fam. Lamiaceae (Labiatae) 0.1%