2-Hydroxyhexanal

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  • Identifiers

    CAS number
    41472-84-8

    Molecular formula
    C6H12O2

    SMILES
    CCCCC(C=O)O

    Safety labels

  • Odor profile

    Fragrance
    Green 67.48%
    Fruity 62.29%
    Cheesy 44.66%
    Fatty 44.57%
    Sweet 44.36%
    Oily 43.29%
    Earthy 41.63%
    Buttery 38.82%
    Pungent 38.63%
    Mushroom 37.77%

     

    Flavor
    Green 46.05%
    Oily 33.2%
    Pungent 33.17%
    Fruity 29.64%
    Fatty 29.39%
    Sweet 28.65%
    Musty 28.57%
    Ethereal 28.18%
    Herbal 27.49%
    Cheese 26.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.64 (neutral)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    196°C

    Flash point

    • 79.41 ˚C est.

  • Synonyms

    • 2-Hydroxyhexanal
    • 41472-84-8
    • DTXSID10961739
    • RefChem:1063433
    • DTXCID801389558
    • 2-hydroxy-hexanal
    • 2-hydroxy caproaldehyde
    • HEXANAL, 2-HYDROXY-
    • BRN 1720677
    • 3-01-00-03228 (Beilstein Handbook Reference)
    • SCHEMBL830089
    • SCHEMBL2575567
    • SCHEMBL8735658
    • SCHEMBL28003235
    • CHEBI:179301
    • LMFA06000012
    • AKOS015329091
    • 41472-84-8

  • Applications

    2-Hydroxyhexanal (CAS 41472-84-8) is primarily employed as an intermediate in organic synthesis and as a building block for more complex fragrance and flavor compounds. In perfumery and flavor applications, the molecule’s aldehyde and hydroxyl functionality enables formation of esters, acetals, and other derivatives that can contribute to fruity or floral notes and serve as precursors for downstream fragrance ingredients. In cosmetics and personal care, it is commonly evaluated as a fragrance-related intermediate for formulation components. In industrial and polymer contexts, it may function as a functionalized monomer or crosslinking precursor for specialty polymers or resin systems, and in pharmaceutical/agrochemical synthesis it can serve as a chiral building block or synthesis intermediate for target molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 540.27
    methanol 878.75
    isopropanol 318.1
    water 4.7
    ethyl acetate 156.75
    n-propanol 343.17
    acetone 279.76
    n-butanol 289.34
    acetonitrile 121.95
    DMF 359.01
    toluene 17.67
    isobutanol 223.52
    1,4-dioxane 229.34
    methyl acetate 154.94
    THF 417.09
    2-butanone 164.32
    n-pentanol 159.88
    sec-butanol 224.69
    n-hexane 8.65
    ethylene glycol 235.36
    NMP 372.4
    cyclohexane 12.27
    DMSO 823.46
    n-butyl acetate 215.6
    n-octanol 83.08
    chloroform 161.51
    n-propyl acetate 113.7
    acetic acid 607.6
    dichloromethane 178.75
    cyclohexanone 302.66
    propylene glycol 231.71
    isopropyl acetate 91.46
    DMAc 190.43
    2-ethoxyethanol 245.49
    isopentanol 220.15
    n-heptane 12.77
    ethyl formate 171.53
    1,2-dichloroethane 134.3
    n-hexanol 261.08
    2-methoxyethanol 520.39
    isobutyl acetate 78.77
    tetrachloromethane 34.47
    n-pentyl acetate 95.47
    transcutol 809.3
    n-heptanol 96.77
    ethylbenzene 20.54
    MIBK 93.81
    2-propoxyethanol 356.8
    tert-butanol 344.6
    MTBE 111.9
    2-butoxyethanol 188.28
    propionic acid 331.18
    o-xylene 26.35
    formic acid 304.73
    diethyl ether 67.99
    m-xylene 25.21
    p-xylene 29.53
    chlorobenzene 63.34
    dimethyl carbonate 41.58
    n-octane 5.27
    formamide 262.96
    cyclopentanone 377.8
    2-pentanone 144.92
    anisole 63.34
    cyclopentyl methyl ether 133.71
    gamma-butyrolactone 493.46
    1-methoxy-2-propanol 333.6
    pyridine 140.79
    3-pentanone 70.82
    furfural 398.65
    n-dodecane 5.21
    diethylene glycol 357.47
    diisopropyl ether 27.94
    tert-amyl alcohol 235.09
    acetylacetone 190.79
    n-hexadecane 5.64
    acetophenone 87.15
    methyl propionate 113.08
    isopentyl acetate 179.76
    trichloroethylene 296.61
    n-nonanol 69.85
    cyclohexanol 182.49
    benzyl alcohol 88.65
    2-ethylhexanol 124.27
    isooctanol 78.97
    dipropyl ether 81.3
    1,2-dichlorobenzene 78.67
    ethyl lactate 89.87
    propylene carbonate 256.19
    n-methylformamide 278.84
    2-pentanol 153.34
    n-pentane 6.55
    1-propoxy-2-propanol 275.83
    1-methoxy-2-propyl acetate 176.57
    2-(2-methoxypropoxy) propanol 175.55
    mesitylene 24.36
    ε-caprolactone 258.76
    p-cymene 35.65
    epichlorohydrin 335.94
    1,1,1-trichloroethane 113.14
    2-aminoethanol 337.4
    morpholine-4-carbaldehyde 324.05
    sulfolane 617.3
    2,2,4-trimethylpentane 8.12
    2-methyltetrahydrofuran 256.43
    n-hexyl acetate 139.01
    isooctane 7.64
    2-(2-butoxyethoxy)ethanol 248.63
    sec-butyl acetate 73.46
    tert-butyl acetate 117.31
    decalin 10.5
    glycerin 326.44
    diglyme 390.01
    acrylic acid 288.9
    isopropyl myristate 55.05
    n-butyric acid 437.4
    acetyl acetate 106.51
    di(2-ethylhexyl) phthalate 67.96
    ethyl propionate 81.67
    nitromethane 517.23
    1,2-diethoxyethane 144.72
    benzonitrile 113.98
    trioctyl phosphate 57.09
    1-bromopropane 57.13
    gamma-valerolactone 446.75
    n-decanol 53.47
    triethyl phosphate 60.7
    4-methyl-2-pentanol 87.19
    propionitrile 109.88
    vinylene carbonate 210.28
    1,1,2-trichlorotrifluoroethane 319.23
    DMS 98.67
    cumene 24.33
    2-octanol 58.72
    2-hexanone 116.65
    octyl acetate 73.43
    limonene 54.58
    1,2-dimethoxyethane 276.3
    ethyl orthosilicate 58.65
    tributyl phosphate 66.86
    diacetone alcohol 213.76
    N,N-dimethylaniline 50.29
    acrylonitrile 172.68
    aniline 68.65
    1,3-propanediol 416.39
    bromobenzene 50.61
    dibromomethane 105.59
    1,1,2,2-tetrachloroethane 230.3
    2-methyl-cyclohexyl acetate 114.34
    tetrabutyl urea 87.2
    diisobutyl methanol 72.35
    2-phenylethanol 117.63
    styrene 24.14
    dioctyl adipate 92.33
    dimethyl sulfate 102.13
    ethyl butyrate 125.35
    methyl lactate 117.35
    butyl lactate 119.94
    diethyl carbonate 83.44
    propanediol butyl ether 218.23
    triethyl orthoformate 88.46
    p-tert-butyltoluene 35.65
    methyl 4-tert-butylbenzoate 115.63
    morpholine 286.37
    tert-butylamine 162.58
    n-dodecanol 41.61
    dimethoxymethane 133.41
    ethylene carbonate 160.28
    cyrene 153.98
    2-ethoxyethyl acetate 129.87
    2-ethylhexyl acetate 119.13
    1,2,4-trichlorobenzene 97.22
    4-methylpyridine 113.4
    dibutyl ether 63.0
    2,6-dimethyl-4-heptanol 72.35
    DEF 166.45
    dimethyl isosorbide 259.8
    tetrachloroethylene 171.4
    eugenol 132.49
    triacetin 141.55
    span 80 178.74
    1,4-butanediol 156.02
    1,1-dichloroethane 111.67
    2-methyl-1-pentanol 135.34
    methyl formate 200.04
    2-methyl-1-butanol 187.54
    n-decane 7.31
    butyronitrile 135.67
    3,7-dimethyl-1-octanol 89.21
    1-chlorooctane 36.05
    1-chlorotetradecane 16.14
    n-nonane 6.93
    undecane 5.97
    tert-butylcyclohexane 11.64
    cyclooctane 4.76
    cyclopentanol 264.6
    tetrahydropyran 187.67
    tert-amyl methyl ether 77.54
    2,5,8-trioxanonane 281.43
    1-hexene 31.15
    2-isopropoxyethanol 165.93
    2,2,2-trifluoroethanol 163.02
    methyl butyrate 143.93

    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