4-Hydroxypentanal

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  • Identifiers

    CAS number
    44601-24-3

    Molecular formula
    C5H10O2

    SMILES
    CC(CCC=O)O

    Safety labels

  • Odor profile

    Fragrance
    Green 48.63%
    Fruity 44.67%
    Pungent 36.02%
    Ethereal 30.83%
    Nutty 29.36%
    Fatty 29.25%
    Buttery 28.61%
    Fresh 27.88%
    Oily 27.0%
    Cheesy 26.64%

     

    Flavor
    Pungent 47.58%
    Green 45.8%
    Bitter 43.84%
    Ethereal 37.31%
    Musty 36.35%
    Vegetable 33.58%
    Oily 29.1%
    Alcohol 27.75%
    Earthy 26.42%
    Fruit 25.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    7.7 (neutral)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    203°C

    Flash point

    • 80.16 ˚C est.

  • Synonyms

    • 4-Hydroxypentanal
    • 44601-24-3
    • DTXSID60963248
    • RefChem:1070832
    • DTXCID501391013
    • Pentanal, 4-hydroxy-
    • 4-hydroxy-pentanal
    • SCHEMBL749954
    • SCHEMBL749955
    • 44601-24-3

  • Applications

    4-Hydroxypentanal (CAS 44601-24-3) is primarily considered an intermediate in organic synthesis, providing a versatile building block for fine chemicals. It may be used in fragrance and flavor research as a precursor to more complex aroma compounds, and as a chiral starting material for pharmaceutical and agrochemical synthesis. It can also serve as a useful feedstock in polymer and resin chemistries, including preparation of polyol derivatives, and may be explored for coatings, inks, and specialty cleaning formulations where its aldehyde and alcohol functionalities are advantageous. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 539.99
    methanol 1136.47
    isopropanol 269.39
    water 241.36
    ethyl acetate 65.5
    n-propanol 303.98
    acetone 140.7
    n-butanol 237.11
    acetonitrile 108.43
    DMF 498.81
    toluene 11.06
    isobutanol 158.18
    1,4-dioxane 175.07
    methyl acetate 87.08
    THF 205.06
    2-butanone 74.63
    n-pentanol 121.73
    sec-butanol 163.06
    n-hexane 5.25
    ethylene glycol 451.65
    NMP 228.84
    cyclohexane 5.77
    DMSO 333.49
    n-butyl acetate 58.47
    n-octanol 52.06
    chloroform 68.66
    n-propyl acetate 41.07
    acetic acid 528.62
    dichloromethane 60.09
    cyclohexanone 107.9
    propylene glycol 367.08
    isopropyl acetate 34.88
    DMAc 273.33
    2-ethoxyethanol 242.01
    isopentanol 132.15
    n-heptane 6.48
    ethyl formate 117.67
    1,2-dichloroethane 38.28
    n-hexanol 129.3
    2-methoxyethanol 558.08
    isobutyl acetate 26.26
    tetrachloromethane 21.25
    n-pentyl acetate 31.54
    transcutol 364.51
    n-heptanol 54.16
    ethylbenzene 9.07
    MIBK 34.72
    2-propoxyethanol 227.73
    tert-butanol 229.34
    MTBE 51.81
    2-butoxyethanol 112.26
    propionic acid 274.56
    o-xylene 14.83
    formic acid 657.79
    diethyl ether 41.32
    m-xylene 13.88
    p-xylene 13.1
    chlorobenzene 22.83
    dimethyl carbonate 29.86
    n-octane 2.56
    formamide 388.77
    cyclopentanone 133.84
    2-pentanone 56.66
    anisole 38.49
    cyclopentyl methyl ether 57.35
    gamma-butyrolactone 171.98
    1-methoxy-2-propanol 274.87
    pyridine 79.26
    3-pentanone 31.58
    furfural 201.65
    n-dodecane 2.63
    diethylene glycol 308.93
    diisopropyl ether 11.19
    tert-amyl alcohol 144.01
    acetylacetone 67.75
    n-hexadecane 2.74
    acetophenone 42.52
    methyl propionate 58.76
    isopentyl acetate 45.8
    trichloroethylene 72.54
    n-nonanol 42.67
    cyclohexanol 104.62
    benzyl alcohol 66.94
    2-ethylhexanol 54.67
    isooctanol 38.28
    dipropyl ether 33.81
    1,2-dichlorobenzene 25.21
    ethyl lactate 52.6
    propylene carbonate 91.05
    n-methylformamide 347.25
    2-pentanol 90.89
    n-pentane 4.96
    1-propoxy-2-propanol 139.94
    1-methoxy-2-propyl acetate 60.81
    2-(2-methoxypropoxy) propanol 106.24
    mesitylene 10.45
    ε-caprolactone 105.93
    p-cymene 13.06
    epichlorohydrin 119.61
    1,1,1-trichloroethane 30.96
    2-aminoethanol 528.91
    morpholine-4-carbaldehyde 277.98
    sulfolane 178.41
    2,2,4-trimethylpentane 3.95
    2-methyltetrahydrofuran 109.1
    n-hexyl acetate 47.91
    isooctane 3.07
    2-(2-butoxyethoxy)ethanol 140.0
    sec-butyl acetate 24.44
    tert-butyl acetate 37.91
    decalin 4.16
    glycerin 471.47
    diglyme 205.2
    acrylic acid 272.65
    isopropyl myristate 20.22
    n-butyric acid 239.02
    acetyl acetate 47.55
    di(2-ethylhexyl) phthalate 31.24
    ethyl propionate 34.0
    nitromethane 338.93
    1,2-diethoxyethane 62.57
    benzonitrile 58.09
    trioctyl phosphate 23.51
    1-bromopropane 20.79
    gamma-valerolactone 217.38
    n-decanol 31.14
    triethyl phosphate 26.19
    4-methyl-2-pentanol 44.83
    propionitrile 89.14
    vinylene carbonate 96.01
    1,1,2-trichlorotrifluoroethane 197.54
    DMS 37.62
    cumene 10.32
    2-octanol 29.53
    2-hexanone 40.62
    octyl acetate 28.18
    limonene 19.79
    1,2-dimethoxyethane 215.77
    ethyl orthosilicate 25.65
    tributyl phosphate 27.64
    diacetone alcohol 92.67
    N,N-dimethylaniline 33.36
    acrylonitrile 129.5
    aniline 51.99
    1,3-propanediol 481.87
    bromobenzene 15.07
    dibromomethane 34.97
    1,1,2,2-tetrachloroethane 60.63
    2-methyl-cyclohexyl acetate 35.42
    tetrabutyl urea 38.59
    diisobutyl methanol 28.36
    2-phenylethanol 60.19
    styrene 11.64
    dioctyl adipate 36.6
    dimethyl sulfate 56.25
    ethyl butyrate 42.23
    methyl lactate 95.95
    butyl lactate 50.01
    diethyl carbonate 31.09
    propanediol butyl ether 134.76
    triethyl orthoformate 35.31
    p-tert-butyltoluene 13.31
    methyl 4-tert-butylbenzoate 49.3
    morpholine 242.53
    tert-butylamine 103.47
    n-dodecanol 23.49
    dimethoxymethane 123.08
    ethylene carbonate 76.21
    cyrene 84.4
    2-ethoxyethyl acetate 48.51
    2-ethylhexyl acetate 33.45
    1,2,4-trichlorobenzene 31.98
    4-methylpyridine 74.24
    dibutyl ether 27.02
    2,6-dimethyl-4-heptanol 28.36
    DEF 107.78
    dimethyl isosorbide 117.62
    tetrachloroethylene 59.82
    eugenol 68.77
    triacetin 54.86
    span 80 91.37
    1,4-butanediol 201.4
    1,1-dichloroethane 33.24
    2-methyl-1-pentanol 87.41
    methyl formate 203.84
    2-methyl-1-butanol 125.5
    n-decane 3.94
    butyronitrile 93.99
    3,7-dimethyl-1-octanol 46.28
    1-chlorooctane 14.24
    1-chlorotetradecane 6.54
    n-nonane 3.68
    undecane 3.09
    tert-butylcyclohexane 4.87
    cyclooctane 2.36
    cyclopentanol 153.04
    tetrahydropyran 95.18
    tert-amyl methyl ether 40.01
    2,5,8-trioxanonane 160.84
    1-hexene 16.45
    2-isopropoxyethanol 124.44
    2,2,2-trifluoroethanol 203.13
    methyl butyrate 57.6

    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