2,2-Dimethylvaleraldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    14250-88-5

    Molecular formula
    C7H14O

    SMILES
    CCCC(C)(C)C=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 63.07%
    Fruity 60.41%
    Fresh 56.52%
    Herbal 53.58%
    Aldehydic 47.02%
    Floral 42.03%
    Citrus 39.55%
    Ethereal 36.72%
    Pungent 35.62%
    Fatty 33.68%

     

    Flavor
    Green 60.63%
    Fruity 51.33%
    Pungent 38.48%
    Earthy 36.51%
    Citrus 34.23%
    Floral 33.99%
    Ethereal 31.54%
    Woody 30.85%
    Herbal 30.51%
    Sweet 28.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    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.
    126°C

    Flash point

    • 30.19 ˚C est.

  • Synonyms

    • 2,2-Dimethylpentanal
    • 2,2-Dimethylvaleraldehyde
    • 14250-88-5
    • Pentanal, 2,2-dimethyl-
    • EINECS 238-124-4
    • AI3-28317
    • DTXSID90162065
    • RefChem:441486
    • DTXCID1084556
    • 238-124-4
    • Valeraldehyde, 2,2-dimethyl-
    • 2,2-dimethyl-pentanal
    • 2,2-Dimethylpentanal #
    • SCHEMBL270059
    • SCHEMBL270060
    • 5RZZ7FD395
    • SCHEMBL19971106
    • SCHEMBL28395725
    • AKOS022632837
    • DB-023414
    • NS00024634
    • EN300-1218205
    • F2147-6044
    • 14250-88-5

  • Applications

    2,2-Dimethylvaleraldehyde (CAS 14250-88-5) is primarily used as a synthetic intermediate in fragrance chemistry, providing a branched aldehyde platform for the synthesis of esters and other aroma compounds used in perfumery and cosmetics; it can serve as an odorant or aroma precursor in fragrance formulations and may be explored for flavor-related aroma applications; in cosmetics and personal care, it functions as a fragrance ingredient or processing intermediate; in household products and cleaning agents, it may be included as a fragrance component to impart scent; in broader industrial manufacturing, it acts as a general building block for further organic synthesis, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 447.33
    methanol 589.38
    isopropanol 315.0
    water 1.95
    ethyl acetate 319.2
    n-propanol 376.28
    acetone 223.43
    n-butanol 396.63
    acetonitrile 221.72
    DMF 184.85
    toluene 129.7
    isobutanol 277.56
    1,4-dioxane 461.18
    methyl acetate 257.83
    THF 558.69
    2-butanone 251.48
    n-pentanol 239.06
    sec-butanol 317.0
    n-hexane 164.11
    ethylene glycol 113.34
    NMP 292.79
    cyclohexane 131.72
    DMSO 146.71
    n-butyl acetate 595.22
    n-octanol 265.62
    chloroform 835.64
    n-propyl acetate 231.86
    acetic acid 420.14
    dichloromethane 534.17
    cyclohexanone 426.03
    propylene glycol 144.15
    isopropyl acetate 226.93
    DMAc 177.19
    2-ethoxyethanol 270.62
    isopentanol 356.98
    n-heptane 153.09
    ethyl formate 209.39
    1,2-dichloroethane 303.18
    n-hexanol 616.67
    2-methoxyethanol 403.82
    isobutyl acetate 194.32
    tetrachloromethane 260.93
    n-pentyl acetate 263.07
    transcutol 1078.65
    n-heptanol 277.51
    ethylbenzene 122.39
    MIBK 202.12
    2-propoxyethanol 626.37
    tert-butanol 436.14
    MTBE 366.08
    2-butoxyethanol 358.84
    propionic acid 316.96
    o-xylene 122.33
    formic acid 176.46
    diethyl ether 345.11
    m-xylene 129.28
    p-xylene 166.41
    chlorobenzene 220.75
    dimethyl carbonate 64.48
    n-octane 52.36
    formamide 119.57
    cyclopentanone 375.68
    2-pentanone 245.97
    anisole 198.07
    cyclopentyl methyl ether 327.89
    gamma-butyrolactone 431.98
    1-methoxy-2-propanol 307.6
    pyridine 283.86
    3-pentanone 178.71
    furfural 389.28
    n-dodecane 33.98
    diethylene glycol 364.68
    diisopropyl ether 156.53
    tert-amyl alcohol 398.76
    acetylacetone 215.07
    n-hexadecane 36.86
    acetophenone 183.27
    methyl propionate 184.27
    isopentyl acetate 526.05
    trichloroethylene 618.23
    n-nonanol 223.44
    cyclohexanol 335.22
    benzyl alcohol 160.26
    2-ethylhexanol 432.28
    isooctanol 223.74
    dipropyl ether 370.88
    1,2-dichlorobenzene 242.93
    ethyl lactate 128.37
    propylene carbonate 333.95
    n-methylformamide 156.27
    2-pentanol 291.61
    n-pentane 113.77
    1-propoxy-2-propanol 543.3
    1-methoxy-2-propyl acetate 383.95
    2-(2-methoxypropoxy) propanol 309.99
    mesitylene 106.6
    ε-caprolactone 429.41
    p-cymene 159.9
    epichlorohydrin 413.28
    1,1,1-trichloroethane 441.69
    2-aminoethanol 230.11
    morpholine-4-carbaldehyde 350.58
    sulfolane 405.56
    2,2,4-trimethylpentane 71.95
    2-methyltetrahydrofuran 514.68
    n-hexyl acetate 397.39
    isooctane 64.24
    2-(2-butoxyethoxy)ethanol 431.56
    sec-butyl acetate 201.26
    tert-butyl acetate 291.38
    decalin 84.39
    glycerin 187.6
    diglyme 562.25
    acrylic acid 241.87
    isopropyl myristate 159.62
    n-butyric acid 484.48
    acetyl acetate 184.33
    di(2-ethylhexyl) phthalate 147.39
    ethyl propionate 193.97
    nitromethane 317.46
    1,2-diethoxyethane 407.3
    benzonitrile 235.86
    trioctyl phosphate 119.5
    1-bromopropane 301.04
    gamma-valerolactone 477.23
    n-decanol 161.93
    triethyl phosphate 135.11
    4-methyl-2-pentanol 209.11
    propionitrile 247.64
    vinylene carbonate 276.11
    1,1,2-trichlorotrifluoroethane 378.86
    DMS 193.41
    cumene 116.39
    2-octanol 191.18
    2-hexanone 238.78
    octyl acetate 194.9
    limonene 255.16
    1,2-dimethoxyethane 382.29
    ethyl orthosilicate 156.86
    tributyl phosphate 150.27
    diacetone alcohol 300.07
    N,N-dimethylaniline 146.01
    acrylonitrile 227.71
    aniline 164.65
    1,3-propanediol 302.73
    bromobenzene 223.62
    dibromomethane 419.94
    1,1,2,2-tetrachloroethane 528.93
    2-methyl-cyclohexyl acetate 299.36
    tetrabutyl urea 157.73
    diisobutyl methanol 240.47
    2-phenylethanol 268.14
    styrene 125.55
    dioctyl adipate 197.02
    dimethyl sulfate 94.46
    ethyl butyrate 346.77
    methyl lactate 116.45
    butyl lactate 238.21
    diethyl carbonate 213.46
    propanediol butyl ether 320.71
    triethyl orthoformate 251.79
    p-tert-butyltoluene 160.21
    methyl 4-tert-butylbenzoate 223.16
    morpholine 479.29
    tert-butylamine 353.25
    n-dodecanol 119.97
    dimethoxymethane 166.24
    ethylene carbonate 235.35
    cyrene 196.58
    2-ethoxyethyl acetate 290.5
    2-ethylhexyl acetate 424.09
    1,2,4-trichlorobenzene 263.48
    4-methylpyridine 279.9
    dibutyl ether 272.72
    2,6-dimethyl-4-heptanol 240.47
    DEF 232.1
    dimethyl isosorbide 454.63
    tetrachloroethylene 429.51
    eugenol 227.46
    triacetin 259.1
    span 80 315.19
    1,4-butanediol 134.21
    1,1-dichloroethane 396.46
    2-methyl-1-pentanol 252.96
    methyl formate 122.38
    2-methyl-1-butanol 305.93
    n-decane 60.16
    butyronitrile 329.46
    3,7-dimethyl-1-octanol 284.83
    1-chlorooctane 182.08
    1-chlorotetradecane 71.99
    n-nonane 64.73
    undecane 43.46
    tert-butylcyclohexane 102.04
    cyclooctane 56.3
    cyclopentanol 290.76
    tetrahydropyran 492.19
    tert-amyl methyl ether 302.83
    2,5,8-trioxanonane 372.2
    1-hexene 302.19
    2-isopropoxyethanol 234.56
    2,2,2-trifluoroethanol 141.08
    methyl butyrate 252.76

    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