2-Methylpentanal

  • Identifiers

    CAS number
    123-15-9

    Molecular formula
    C6H12O

    SMILES
    CCCC(C)C=O

    Retention indicies (RI)

    • Carbowax: 969.0

  • Odor profile

    fruity 89.94%
    green 79.93%
    cheesy 59.96%
    fresh 56.39%
    fatty 55.19%
    pungent 53.42%
    ethereal 53.1%
    cocoa 47.2%
    aldehydic 45.83%
    fermented 41.8%

    Scent© AI

  • Properties

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

    Molecular weight
    100.16 g/mol

    Melting points

    • FP: -100 °C

    Boiling points

    • 117 °C

    Flash points

    • 68 °F (NFPA, 2010)
    • 20 °C
    • 68 °F (20 °C) (OPEN CUP)

    Solubilities

    • Sol in water, ether, acetone, slightly sol in carbon tetrachloride.
    • Water solubility = 0.42% wt at 25 °C
    • 4.2 mg/mL at 25 °C

  • Synonyms

    • 2-Methylpentanal
    • 2-Methylvaleraldehyde
    • 123-15-9
    • Pentanal, 2-methyl-
    • Methyl valeraldehyde
    • 2-Formylpentane
    • 2-METHYLPENTALDEHYDE
    • Valeraldehyde, 2-methyl-
    • Pentanal, methyl-
    • 2-Methylvaleric aldehyde
    • alpha-Methylpentanal
    • alpha-Methylpentenal
    • 2-METHYL VALERALDEHYDE
    • Methylpentaldehyde
    • FEMA No. 3413
    • FEMA Number 3413
    • 2-methyl-pentanal
    • NSC 49351
    • .alpha.-Methylpentanal
    • HSDB 1129
    • 2-Methylpental
    • EINECS 204-605-2
    • UN2367
    • DTXSID9021978
    • AI3-25464
    • alpha-Methylvaleraldehyde
    • 2-Methyl-n-valeraldehyde
    • NSC-49351
    • n-C3H7CH(CH3)CHO
    • DTXCID201978
    • 2-METHYLPENTANAL [FHFI]
    • 64L45T2504
    • CHEBI:89986
    • FTZILAQGHINQQR-UHFFFAOYSA-
    • EC 204-605-2
    • (+/-)-2-METHYLPENTANAL
    • .ALPHA.-METHYLVALERALDEHYDE
    • 2-METHYLPENTALDEHYDE [HSDB]
    • 73513-30-1
    • 2-Methylvaleraldehyde (>90%)
    • 2methylpentanal
    • methyl-pentanal
    • 2Formylpentane
    • alphaMethylpentanal
    • 2-methyl pentanal
    • Pentanal, 2methyl
    • UNII-64L45T2504
    • 2Methylvaleraldehyde
    • MFCD00006986
    • alpha -methylpentenal
    • 2-methylpentan-1-al
    • 2-methyl-valeraldehyde
    • alphaMethylvaleraldehyde
    • .alpha.-Methylpentenal
    • 2Methylvaleric aldehyde
    • Valeraldehyde, 2methyl
    • 2-Methylpentanal, 98%
    • alpha -methyl valeraldehyde
    • .alpha.-Methyl valeraldehyde
    • SCHEMBL43746
    • 2-Methylpentanal, >=97%
    • alpha-Methylvaleraldehyde [UN2367] [Flammable liquid]
    • CHEMBL2270061
    • FEMA 3413
    • Valeraldehyde, 2-methyl-(8CI)
    • Valeraldehyde, 2-methyl- (8CI)
    • NSC49351
    • STR04185
    • METHYL VALERALDEHYDE (ALPHA)
    • Tox21_303754
    • AKOS000121097
    • FM33386
    • UN 2367
    • NCGC00356941-01
    • CAS-123-15-9
    • PD123974
    • DB-041709
    • M0596
    • NS00004366
    • EN300-26308
    • Q27162196
    • alpha-Methylvaleraldehyde [UN2367] [Flammable liquid]
    • F2190-0605
    • 204-605-2
1 4

Botanical

Name CAS Botanical Proportion
Onion 8002-72-0 Allium cepa L., fam. Liliaceae 0.1%