5-Hydroxypentanal

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  • Identifiers

    CAS number
    4221-03-8

    Molecular formula
    C5H10O2

    SMILES
    C(CCO)CC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 49.99%
    Pungent 44.82%
    Green 43.71%
    Ethereal 42.28%
    Alcoholic 36.71%
    Fermented 31.95%
    Fresh 31.41%
    Oily 31.25%
    Sweet 30.71%
    Sharp 29.05%

     

    Flavor
    Pungent 55.1%
    Musty 43.27%
    Ethereal 40.7%
    Bitter 40.63%
    Green 37.71%
    Sweet 34.38%
    Vegetable 33.59%
    Alcohol 33.11%
    Alcoholic 30.76%
    Fruit 28.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    8.05 (weak base)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    222°C

    Flash point

    • 89.68 ˚C est.

  • Synonyms

    • 5-HYDROXYPENTANAL
    • 4221-03-8
    • Pentanal, 5-hydroxy-
    • NSC-62080
    • DTXSID30195039
    • MN5U8C2789
    • RefChem:102924
    • DTXCID90117530
    • 224-165-5
    • MFCD00044411
    • 5-hydroxy-pentanal
    • EINECS 224-165-5
    • 5-Hydroxyvaleraldehyde
    • SCHEMBL196890
    • SCHEMBL1156211
    • SCHEMBL2374690
    • SCHEMBL3564464
    • SCHEMBL6663183
    • NSC62080
    • NSC 62080
    • AKOS006229449
    • CS-W005564
    • DS-13348
    • SY047027
    • 5-hydroxypentanal/tetrahydro-2H-pyran-2-ol
    • AI3-19935
    • DB-007061
    • NS00048404
    • EN300-123851
    • F19841
    • F411971
    • Q27460635
    • 4221-03-8

  • Applications

    5-Hydroxypentanal (CAS 4221-03-8) is an organic synthesis intermediate commonly used in fragrance and flavor development, enabling odor modification through its aldehyde and terminal hydroxyl functionality; it also serves as a building block in polymers/plastics and resins to participate in linking reactions and network formation in polymer systems; in coatings and inks, it acts as a precursor for resin-forming and surface-anchoring compounds; it is also evaluated as an intermediate in pharmaceutical synthesis and in the production of fine chemicals; in cosmetics and personal care, it may be used as a fragrance precursor or as a component in formulations to develop scents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1096.9
    methanol 2692.67
    isopropanol 512.0
    water 99.74
    ethyl acetate 224.12
    n-propanol 625.27
    acetone 551.29
    n-butanol 538.4
    acetonitrile 239.48
    DMF 1326.4
    toluene 14.0
    isobutanol 336.9
    1,4-dioxane 407.04
    methyl acetate 208.09
    THF 799.41
    2-butanone 220.82
    n-pentanol 227.82
    sec-butanol 287.64
    n-hexane 6.9
    ethylene glycol 751.45
    NMP 976.62
    cyclohexane 11.26
    DMSO 1986.27
    n-butyl acetate 194.46
    n-octanol 93.87
    chloroform 129.51
    n-propyl acetate 148.91
    acetic acid 1951.13
    dichloromethane 193.1
    cyclohexanone 439.84
    propylene glycol 536.25
    isopropyl acetate 118.41
    DMAc 460.05
    2-ethoxyethanol 442.78
    isopentanol 299.01
    n-heptane 11.31
    ethyl formate 300.34
    1,2-dichloroethane 146.33
    n-hexanol 239.09
    2-methoxyethanol 1237.12
    isobutyl acetate 81.32
    tetrachloromethane 29.32
    n-pentyl acetate 98.56
    transcutol 1274.29
    n-heptanol 91.9
    ethylbenzene 11.32
    MIBK 107.44
    2-propoxyethanol 456.58
    tert-butanol 418.17
    MTBE 92.86
    2-butoxyethanol 232.45
    propionic acid 722.34
    o-xylene 17.77
    formic acid 1578.97
    diethyl ether 97.38
    m-xylene 18.01
    p-xylene 18.02
    chlorobenzene 53.8
    dimethyl carbonate 86.14
    n-octane 3.97
    formamide 1297.23
    cyclopentanone 654.15
    2-pentanone 210.19
    anisole 62.03
    cyclopentyl methyl ether 192.43
    gamma-butyrolactone 898.76
    1-methoxy-2-propanol 647.65
    pyridine 209.04
    3-pentanone 104.23
    furfural 696.76
    n-dodecane 4.03
    diethylene glycol 588.47
    diisopropyl ether 25.63
    tert-amyl alcohol 227.71
    acetylacetone 266.62
    n-hexadecane 4.3
    acetophenone 89.18
    methyl propionate 184.3
    isopentyl acetate 142.68
    trichloroethylene 272.66
    n-nonanol 75.41
    cyclohexanol 270.04
    benzyl alcohol 102.8
    2-ethylhexanol 99.15
    isooctanol 66.51
    dipropyl ether 89.3
    1,2-dichlorobenzene 63.98
    ethyl lactate 125.04
    propylene carbonate 380.43
    n-methylformamide 1007.28
    2-pentanol 200.12
    n-pentane 7.34
    1-propoxy-2-propanol 305.87
    1-methoxy-2-propyl acetate 184.34
    2-(2-methoxypropoxy) propanol 199.86
    mesitylene 16.38
    ε-caprolactone 381.91
    p-cymene 21.1
    epichlorohydrin 489.5
    1,1,1-trichloroethane 76.13
    2-aminoethanol 914.36
    morpholine-4-carbaldehyde 719.28
    sulfolane 1107.14
    2,2,4-trimethylpentane 5.21
    2-methyltetrahydrofuran 378.08
    n-hexyl acetate 145.25
    isooctane 4.74
    2-(2-butoxyethoxy)ethanol 338.5
    sec-butyl acetate 70.86
    tert-butyl acetate 123.66
    decalin 6.04
    glycerin 796.23
    diglyme 533.97
    acrylic acid 717.83
    isopropyl myristate 49.21
    n-butyric acid 803.44
    acetyl acetate 158.18
    di(2-ethylhexyl) phthalate 65.92
    ethyl propionate 106.1
    nitromethane 1526.38
    1,2-diethoxyethane 192.42
    benzonitrile 115.04
    trioctyl phosphate 56.88
    1-bromopropane 47.91
    gamma-valerolactone 801.47
    n-decanol 53.82
    triethyl phosphate 58.95
    4-methyl-2-pentanol 87.42
    propionitrile 179.44
    vinylene carbonate 329.08
    1,1,2-trichlorotrifluoroethane 507.71
    DMS 120.59
    cumene 13.85
    2-octanol 52.31
    2-hexanone 125.73
    octyl acetate 73.2
    limonene 37.35
    1,2-dimethoxyethane 441.65
    ethyl orthosilicate 53.25
    tributyl phosphate 71.93
    diacetone alcohol 253.0
    N,N-dimethylaniline 47.46
    acrylonitrile 306.71
    aniline 89.86
    1,3-propanediol 1000.9
    bromobenzene 35.0
    dibromomethane 89.09
    1,1,2,2-tetrachloroethane 189.88
    2-methyl-cyclohexyl acetate 91.47
    tetrabutyl urea 97.75
    diisobutyl methanol 51.74
    2-phenylethanol 105.75
    styrene 15.69
    dioctyl adipate 95.53
    dimethyl sulfate 190.55
    ethyl butyrate 133.98
    methyl lactate 222.6
    butyl lactate 133.84
    diethyl carbonate 80.79
    propanediol butyl ether 292.23
    triethyl orthoformate 89.18
    p-tert-butyltoluene 20.3
    methyl 4-tert-butylbenzoate 109.28
    morpholine 623.27
    tert-butylamine 162.45
    n-dodecanol 40.13
    dimethoxymethane 337.43
    ethylene carbonate 265.09
    cyrene 192.94
    2-ethoxyethyl acetate 149.93
    2-ethylhexyl acetate 92.99
    1,2,4-trichlorobenzene 77.31
    4-methylpyridine 139.23
    dibutyl ether 69.74
    2,6-dimethyl-4-heptanol 51.74
    DEF 326.2
    dimethyl isosorbide 273.3
    tetrachloroethylene 167.42
    eugenol 141.6
    triacetin 171.05
    span 80 211.02
    1,4-butanediol 321.45
    1,1-dichloroethane 84.97
    2-methyl-1-pentanol 144.07
    methyl formate 574.72
    2-methyl-1-butanol 255.28
    n-decane 6.0
    butyronitrile 207.98
    3,7-dimethyl-1-octanol 82.36
    1-chlorooctane 29.64
    1-chlorotetradecane 12.23
    n-nonane 5.55
    undecane 4.73
    tert-butylcyclohexane 6.48
    cyclooctane 3.85
    cyclopentanol 476.95
    tetrahydropyran 289.3
    tert-amyl methyl ether 68.95
    2,5,8-trioxanonane 365.51
    1-hexene 25.36
    2-isopropoxyethanol 225.66
    2,2,2-trifluoroethanol 522.5
    methyl butyrate 184.95

    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