3-Methylbutanal

  • Identifiers

    CAS mumber
    590-86-3

    Molecular formula
    C5H10O

    SMILES
    CC(C)CC=O

    Retention indicies (RI)

    • DB5: 659.67
    • Carbowax: 918.8

  • Properties

    XLogP3-AA
    1.0 Well soluble in MMB, TEC, DEP

    Molecular weight
    86.13 g/mol

    Melting points

    • -60 °F (USCG, 1999)
    • -51 °C
    • -51 °C
    • -51 °C

    Boiling points

    • 198.5 °F at 760 mmHg (USCG, 1999)
    • 92.5 °C
    • 90.00 to 93.00 °C. @ 760.00 mm Hg
    • 92.5 °C

    Flash points

    • 55 °F (est.) (USCG, 1999)
    • 48 °F (9 °C) open cup
    • -3 °C c.c.

    Solubilities

    • Slightly soluble in water; soluble in ethanol, ethyl ether
    • Miscible with alcohol, ether
    • SOL IN PROPYLENE GLYCOL AND OILS
    • In water, 1,400 mg/L at 20 °C
    • 14 mg/mL at 20 °C
    • Solubility in water, g/100ml: 2 (poor)
    • soluble in water

  • Synonyms

    • 3-Methylbutanal
    • ISOVALERALDEHYDE
    • 590-86-3
    • 3-Methylbutyraldehyde
    • Isovaleral
    • Isopentaldehyde
    • Isoamylaldehyde
    • Isopentanal
    • Butanal, 3-methyl-
    • Isovalerylaldehyde
    • Isovaleric aldehyde
    • beta-Methylbutanal
    • Isoamyl aldehyde
    • 2-Methylbutanal-4
    • 3-Methyl-1-butanal
    • 1-Butanal, 3-methyl-
    • Butyraldehyde, 3-methyl-
    • iso-C4H9CHO
    • Iso-Valeraldehyde
    • 3-Methylbutylaldehyde
    • beta-Methylbutyraldehyde
    • 3-methyl butanal
    • FEMA No. 2692
    • Butanal, methyl-
    • 3-Methyl-Butanal
    • NSC 404119
    • 3-Methylbutan-1-al
    • 3-Methyl butyraldehyde
    • 3-methyl-Butyraldehyde
    • Aldehyde isovalerianique
    • CCRIS 2945
    • HSDB 628
    • 3-Methylbutyraldehyde (natural)
    • EINECS 209-691-5
    • BRN 0773692
    • .beta.-Methylbutanal
    • DTXSID1021619
    • UNII-69931RWI96
    • CHEBI:16638
    • AI3-16106
    • ISOVALERIC-ALDEHYDE
    • MFCD00007014
    • 69931RWI96
    • NSC-404119
    • CHEMBL18360
    • DTXCID201619
    • EC 209-691-5
    • 4-01-00-03291 (Beilstein Handbook Reference)
    • 26140-47-6
    • Aldehyde isovalerianique [French]
    • b-Methylbutanal
    • Methyl butanal
    • isovaler aldehyde
    • Isovaleraldehyde, 97%
    • ISOVALERALDEHYDE [MI]
    • ISOVALERALDEHYDE [HSDB]
    • WLN: VH1Y1&1
    • 3-METHYL BUTANAL [FCC]
    • Isovaleraldehyde, >=97%, FG
    • STR03918
    • Isovaleraldehyde, analytical standard
    • Tox21_200891
    • 3-METHYLBUTYRALDEHYDE [FHFI]
    • BBL027631
    • BDBM50028832
    • NSC404119
    • STL146355
    • AKOS000118930
    • Isovaleraldehyde, natural, >=95%, FG
    • NCGC00248867-01
    • NCGC00258445-01
    • CAS-590-86-3
    • FM140577
    • PD124039
    • I0192
    • NS00006828
    • EN300-18032
    • C07329
    • Q409554
    • F2190-0631
    • InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H
    • 209-691-5
1 3

Botanical

Name CAS Botanical Proportion
Cardamom (Costa Rica) 8000-66-6 Elettaria cardamomum (L.) Maton, fam. Zingiberaceae 0.01%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.01%
Eucalyptus globulus (Spain) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.15%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.25%
Linden blossom flower Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.3%
Mace 2 8007-12-3 Myristica fragrans Houtt., fam. Myristicaceae 0.01%
Peppermint (USA) 3 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.05%
Peppermint (Greece) 1 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.05%
Peppermint (Greece) 2 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.05%
Rosemary (Spain) 3 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Spearmint, scotch (USA) 1 Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.05%
Truffle, black (Perigord) Tuber melanosporum, fam. Ascomycetae 0.05%
Eucalyptus brassiana Eucalyptus brassiana S.T. Blake, fam. Myrtaceae 0.47%
Coriander fruit 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Eromenthe (USA) 1 Mentha spicata L., var. eromenthe, fam. Lamiaceae (Labiatae) 0.15%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.03%
Eucalyptus globulus (Portugal) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.1%
Basil (Turkey) 2a 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Basil (Turkey) 2b 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.05%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.88%
Truffle, white (Italy) Tuber magnatum Pico, fam. Ascomycetae 0.5%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 0.01%
Eucalyptus macathurii Ecalyptus macathurii Dean & Maiden, fam. Myrtaceae 6.1%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 0.01%
Shadberry fruit Amelanchier arborea Nutt., fam. Rosaceae 0.3%
Eucalyptus globulus (Zambia) 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.6%
Eucalyptus smithii (Zambia) 91771-68-5 Eucalyptus smithii R. Baker, fam. Myrtaceae 0.6%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.09%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 4.2%
Eucalyptus globulus (Spain) 2b young leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.1%
Eucalyptus globulus (Portugal) 2 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.1%
Truffle, Asian Tuber indicum Cooke et Mass. (T. himalayense Zhang-Minter),fam.Ascomycetae 10.0%
Angelica (sativa) fruit 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.01%
Celery seed (India) 5 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.01%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%
Corymbia maculata (Cuba) Corymbia maculata (Hook.) K.D. Hill & L.A.S. Johnson, fam. Myrtaceae 0.01%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.01%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%