2,3-Dimethylpentanal

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  • Identifiers

    CAS number
    32749-94-3

    Molecular formula
    C7H14O

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 84.83%
    Fruity 59.48%
    Fresh 51.35%
    Ethereal 44.76%
    Aldehydic 41.85%
    Cocoa 34.94%
    Fatty 31.81%
    Herbal 31.77%
    Pungent 30.43%
    Leafy 29.42%

     

    Flavor
    Green 68.24%
    Fruity 50.17%
    Fresh 35.15%
    Citrus 32.67%
    Herbal 28.86%
    Aldehydic 28.71%
    Ethereal 28.34%
    Floral 28.29%
    Sweet 26.95%
    Leafy 26.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.71 (neutral)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    134°C

    Flash point

    • 34.16 ˚C est.

  • Synonyms

    • 2,3-Dimethylpentanal
    • 32749-94-3
    • 2,3-Dimethylvaleraldehyde
    • Pentanal, 2,3-dimethyl-
    • 2,3-Dimethylpentaldehyde
    • 2,3-Dimethyl-pentanal
    • Valeraldehyde, 2,3-dimethyl-
    • CHEMBL18278
    • DTXSID1022213
    • EINECS 251-193-5
    • NSC 73707
    • BRN 1901854
    • AI3-33228
    • NSC73707
    • 3944-76-1
    • Pentanal,3-dimethyl-
    • Valeraldehyde,3-dimethyl-
    • Butanal, 3-ethyl-2-methyl
    • SCHEMBL270307
    • DTXCID102213
    • BDBM50028791
    • MFCD00006979
    • NSC-73707
    • AKOS006229678
    • DB-048257
    • NS00055323
    • EN300-1830060
    • 251-193-5

  • Applications

    2,3-Dimethylpentanal (CAS 32749-94-3) is used primarily as an intermediate in organic synthesis. In perfumery and flavor chemistry, it serves as a precursor for odor- and taste-active compounds. It also functions as a building block for pharmaceutical intermediates and other specialty chemicals. In coatings and inks, the aldehyde can participate in resin formation or crosslinking as a reactive aldehyde derivative. In cosmetics/personal care and household products, it may appear as an aroma-related intermediate within formulations, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 409.66
    methanol 416.65
    isopropanol 362.96
    water 1.14
    ethyl acetate 343.38
    n-propanol 350.09
    acetone 251.84
    n-butanol 352.62
    acetonitrile 331.06
    DMF 193.91
    toluene 134.27
    isobutanol 259.27
    1,4-dioxane 736.52
    methyl acetate 336.02
    THF 634.68
    2-butanone 301.87
    n-pentanol 226.75
    sec-butanol 289.84
    n-hexane 73.61
    ethylene glycol 82.37
    NMP 299.83
    cyclohexane 104.66
    DMSO 260.28
    n-butyl acetate 577.88
    n-octanol 153.24
    chloroform 1007.06
    n-propyl acetate 259.78
    acetic acid 384.94
    dichloromethane 727.31
    cyclohexanone 523.46
    propylene glycol 116.71
    isopropyl acetate 210.89
    DMAc 149.63
    2-ethoxyethanol 256.93
    isopentanol 315.46
    n-heptane 62.94
    ethyl formate 222.31
    1,2-dichloroethane 452.54
    n-hexanol 500.29
    2-methoxyethanol 376.17
    isobutyl acetate 169.05
    tetrachloromethane 268.9
    n-pentyl acetate 223.53
    transcutol 1286.45
    n-heptanol 183.48
    ethylbenzene 101.34
    MIBK 158.46
    2-propoxyethanol 546.78
    tert-butanol 498.71
    MTBE 342.73
    2-butoxyethanol 282.22
    propionic acid 361.97
    o-xylene 107.67
    formic acid 134.59
    diethyl ether 306.01
    m-xylene 103.47
    p-xylene 142.59
    chlorobenzene 298.64
    dimethyl carbonate 49.48
    n-octane 24.51
    formamide 141.72
    cyclopentanone 475.39
    2-pentanone 229.59
    anisole 190.3
    cyclopentyl methyl ether 301.05
    gamma-butyrolactone 594.04
    1-methoxy-2-propanol 285.12
    pyridine 448.72
    3-pentanone 153.99
    furfural 504.37
    n-dodecane 15.42
    diethylene glycol 334.97
    diisopropyl ether 112.0
    tert-amyl alcohol 360.0
    acetylacetone 236.45
    n-hexadecane 17.57
    acetophenone 166.55
    methyl propionate 184.31
    isopentyl acetate 482.6
    trichloroethylene 903.02
    n-nonanol 133.24
    cyclohexanol 324.84
    benzyl alcohol 154.83
    2-ethylhexanol 317.08
    isooctanol 159.24
    dipropyl ether 265.91
    1,2-dichlorobenzene 279.89
    ethyl lactate 101.58
    propylene carbonate 334.2
    n-methylformamide 181.75
    2-pentanol 239.63
    n-pentane 53.3
    1-propoxy-2-propanol 471.29
    1-methoxy-2-propyl acetate 362.84
    2-(2-methoxypropoxy) propanol 253.2
    mesitylene 77.76
    ε-caprolactone 497.49
    p-cymene 112.1
    epichlorohydrin 588.61
    1,1,1-trichloroethane 608.56
    2-aminoethanol 185.79
    morpholine-4-carbaldehyde 392.71
    sulfolane 530.22
    2,2,4-trimethylpentane 37.0
    2-methyltetrahydrofuran 563.17
    n-hexyl acetate 285.96
    isooctane 32.04
    2-(2-butoxyethoxy)ethanol 377.09
    sec-butyl acetate 187.04
    tert-butyl acetate 247.81
    decalin 49.17
    glycerin 142.55
    diglyme 593.47
    acrylic acid 261.74
    isopropyl myristate 108.87
    n-butyric acid 505.18
    acetyl acetate 196.09
    di(2-ethylhexyl) phthalate 107.75
    ethyl propionate 192.29
    nitromethane 452.73
    1,2-diethoxyethane 444.55
    benzonitrile 297.74
    trioctyl phosphate 82.42
    1-bromopropane 299.29
    gamma-valerolactone 620.54
    n-decanol 96.83
    triethyl phosphate 111.78
    4-methyl-2-pentanol 147.46
    propionitrile 317.53
    vinylene carbonate 310.47
    1,1,2-trichlorotrifluoroethane 394.5
    DMS 179.12
    cumene 83.91
    2-octanol 121.92
    2-hexanone 251.71
    octyl acetate 133.32
    limonene 174.84
    1,2-dimethoxyethane 422.9
    ethyl orthosilicate 122.58
    tributyl phosphate 107.62
    diacetone alcohol 265.74
    N,N-dimethylaniline 114.07
    acrylonitrile 339.27
    aniline 215.85
    1,3-propanediol 288.68
    bromobenzene 293.31
    dibromomethane 512.0
    1,1,2,2-tetrachloroethane 706.72
    2-methyl-cyclohexyl acetate 230.02
    tetrabutyl urea 111.28
    diisobutyl methanol 167.07
    2-phenylethanol 267.98
    styrene 116.87
    dioctyl adipate 147.74
    dimethyl sulfate 82.57
    ethyl butyrate 322.79
    methyl lactate 97.57
    butyl lactate 186.15
    diethyl carbonate 191.46
    propanediol butyl ether 219.76
    triethyl orthoformate 215.27
    p-tert-butyltoluene 105.57
    methyl 4-tert-butylbenzoate 165.63
    morpholine 712.81
    tert-butylamine 342.17
    n-dodecanol 73.68
    dimethoxymethane 142.43
    ethylene carbonate 270.78
    cyrene 160.34
    2-ethoxyethyl acetate 284.81
    2-ethylhexyl acetate 356.56
    1,2,4-trichlorobenzene 308.05
    4-methylpyridine 363.88
    dibutyl ether 195.05
    2,6-dimethyl-4-heptanol 167.07
    DEF 212.64
    dimethyl isosorbide 419.42
    tetrachloroethylene 551.97
    eugenol 188.66
    triacetin 209.5
    span 80 255.09
    1,4-butanediol 104.54
    1,1-dichloroethane 529.11
    2-methyl-1-pentanol 231.41
    methyl formate 138.39
    2-methyl-1-butanol 262.37
    n-decane 28.51
    butyronitrile 338.35
    3,7-dimethyl-1-octanol 181.99
    1-chlorooctane 109.43
    1-chlorotetradecane 41.54
    n-nonane 29.6
    undecane 20.35
    tert-butylcyclohexane 53.87
    cyclooctane 32.2
    cyclopentanol 317.88
    tetrahydropyran 625.97
    tert-amyl methyl ether 221.95
    2,5,8-trioxanonane 360.23
    1-hexene 205.87
    2-isopropoxyethanol 210.78
    2,2,2-trifluoroethanol 131.21
    methyl butyrate 266.89

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction