3-Pentenal

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  • Identifiers

    CAS number
    5604-55-7

    Molecular formula
    C5H8O

    SMILES
    CC=CCC=O

    Safety labels

  • Odor profile

    Fragrance
    Green 89.8%
    Fruity 76.12%
    Pungent 64.24%
    Fresh 50.52%
    Vegetable 48.87%
    Sharp 48.27%
    Apple 42.99%
    Aldehydic 38.28%
    Fatty 37.82%
    Leafy 37.68%

     

    Flavor
    Green 82.48%
    Fruity 59.95%
    Pungent 58.73%
    Vegetable 49.52%
    Nutty 42.97%
    Almond 42.29%
    Fatty 41.85%
    Apple 39.89%
    Grassy 34.23%
    Ethereal 33.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.22 (neutral)

    Molecular weight
    84.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    120°C

    Flash point

    • 19.7 ˚C est.

  • Synonyms

    • 3-Pentenal
    • DTXSID801318496
    • 5604-55-7
    • RefChem:1068458
    • DTXCID201748304
    • penta-3-enal
    • 3-Penten-1-al
    • 3-Pentenal, (3E)-
    • SCHEMBL258859
    • SCHEMBL261532
    • SCHEMBL9114287
    • SCHEMBL28790572
    • NS00044883
    • 5604-55-7

  • Applications

    3-Pentenal (CAS 5604-55-7) is an unsaturated aldehyde primarily used as an odorant and fragrance ingredient in perfumery, providing aldehydic and green notes. It is also used as an intermediate in the synthesis of fragrance materials and cosmetics. In cosmetics and personal care, it may function as a fragrance component contributing to aroma profiles. In industrial manufacturing, 3-Pentenal is employed as a building block to prepare more complex organic compounds and can serve as a precursor to specialty polymers or materials via aldol-type reactions. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 422.6
    methanol 563.94
    isopropanol 263.96
    water 2.81
    ethyl acetate 216.77
    n-propanol 282.92
    acetone 316.34
    n-butanol 253.4
    acetonitrile 245.91
    DMF 702.02
    toluene 82.65
    isobutanol 180.57
    1,4-dioxane 356.96
    methyl acetate 232.99
    THF 368.99
    2-butanone 222.0
    n-pentanol 161.19
    sec-butanol 197.02
    n-hexane 37.96
    ethylene glycol 173.26
    NMP 437.0
    cyclohexane 48.35
    DMSO 543.71
    n-butyl acetate 186.61
    n-octanol 98.67
    chloroform 492.83
    n-propyl acetate 116.14
    acetic acid 394.16
    dichloromethane 377.02
    cyclohexanone 268.95
    propylene glycol 183.88
    isopropyl acetate 99.47
    DMAc 343.89
    2-ethoxyethanol 202.37
    isopentanol 173.34
    n-heptane 37.19
    ethyl formate 147.4
    1,2-dichloroethane 240.7
    n-hexanol 241.17
    2-methoxyethanol 433.19
    isobutyl acetate 73.64
    tetrachloromethane 103.61
    n-pentyl acetate 91.06
    transcutol 769.38
    n-heptanol 88.43
    ethylbenzene 50.65
    MIBK 90.5
    2-propoxyethanol 320.85
    tert-butanol 259.63
    MTBE 135.37
    2-butoxyethanol 160.03
    propionic acid 306.03
    o-xylene 63.95
    formic acid 156.86
    diethyl ether 163.26
    m-xylene 64.97
    p-xylene 61.79
    chlorobenzene 147.46
    dimethyl carbonate 77.49
    n-octane 12.53
    formamide 164.96
    cyclopentanone 314.95
    2-pentanone 177.76
    anisole 117.7
    cyclopentyl methyl ether 163.72
    gamma-butyrolactone 362.25
    1-methoxy-2-propanol 290.3
    pyridine 291.7
    3-pentanone 124.88
    furfural 347.07
    n-dodecane 11.0
    diethylene glycol 285.55
    diisopropyl ether 42.94
    tert-amyl alcohol 180.96
    acetylacetone 182.86
    n-hexadecane 12.18
    acetophenone 114.24
    methyl propionate 185.24
    isopentyl acetate 134.88
    trichloroethylene 444.12
    n-nonanol 83.69
    cyclohexanol 175.72
    benzyl alcohol 110.33
    2-ethylhexanol 124.94
    isooctanol 67.87
    dipropyl ether 127.33
    1,2-dichlorobenzene 135.59
    ethyl lactate 83.96
    propylene carbonate 195.47
    n-methylformamide 313.32
    2-pentanol 145.28
    n-pentane 33.66
    1-propoxy-2-propanol 234.25
    1-methoxy-2-propyl acetate 160.03
    2-(2-methoxypropoxy) propanol 180.31
    mesitylene 43.07
    ε-caprolactone 219.31
    p-cymene 45.73
    epichlorohydrin 322.21
    1,1,1-trichloroethane 246.45
    2-aminoethanol 249.29
    morpholine-4-carbaldehyde 403.8
    sulfolane 395.55
    2,2,4-trimethylpentane 16.71
    2-methyltetrahydrofuran 260.21
    n-hexyl acetate 139.75
    isooctane 13.56
    2-(2-butoxyethoxy)ethanol 241.88
    sec-butyl acetate 73.54
    tert-butyl acetate 105.65
    decalin 23.42
    glycerin 213.21
    diglyme 389.03
    acrylic acid 273.2
    isopropyl myristate 59.61
    n-butyric acid 303.62
    acetyl acetate 123.83
    di(2-ethylhexyl) phthalate 66.51
    ethyl propionate 107.24
    nitromethane 473.97
    1,2-diethoxyethane 204.46
    benzonitrile 163.1
    trioctyl phosphate 49.89
    1-bromopropane 166.4
    gamma-valerolactone 382.91
    n-decanol 63.46
    triethyl phosphate 60.0
    4-methyl-2-pentanol 78.87
    propionitrile 209.6
    vinylene carbonate 204.35
    1,1,2-trichlorotrifluoroethane 314.37
    DMS 125.81
    cumene 38.64
    2-octanol 58.04
    2-hexanone 119.37
    octyl acetate 77.57
    limonene 74.61
    1,2-dimethoxyethane 272.56
    ethyl orthosilicate 58.28
    tributyl phosphate 62.74
    diacetone alcohol 164.96
    N,N-dimethylaniline 84.08
    acrylonitrile 271.92
    aniline 139.69
    1,3-propanediol 267.56
    bromobenzene 138.2
    dibromomethane 272.69
    1,1,2,2-tetrachloroethane 347.52
    2-methyl-cyclohexyl acetate 88.73
    tetrabutyl urea 84.63
    diisobutyl methanol 72.02
    2-phenylethanol 132.74
    styrene 71.27
    dioctyl adipate 90.54
    dimethyl sulfate 131.1
    ethyl butyrate 124.82
    methyl lactate 125.25
    butyl lactate 97.95
    diethyl carbonate 89.66
    propanediol butyl ether 173.98
    triethyl orthoformate 86.07
    p-tert-butyltoluene 45.57
    methyl 4-tert-butylbenzoate 101.3
    morpholine 426.97
    tert-butylamine 169.03
    n-dodecanol 50.47
    dimethoxymethane 234.12
    ethylene carbonate 144.12
    cyrene 118.61
    2-ethoxyethyl acetate 142.36
    2-ethylhexyl acetate 105.62
    1,2,4-trichlorobenzene 158.11
    4-methylpyridine 241.72
    dibutyl ether 102.71
    2,6-dimethyl-4-heptanol 72.02
    DEF 231.13
    dimethyl isosorbide 226.41
    tetrachloroethylene 259.36
    eugenol 124.69
    triacetin 143.59
    span 80 169.14
    1,4-butanediol 115.14
    1,1-dichloroethane 267.82
    2-methyl-1-pentanol 120.23
    methyl formate 205.98
    2-methyl-1-butanol 160.34
    n-decane 16.85
    butyronitrile 189.59
    3,7-dimethyl-1-octanol 100.61
    1-chlorooctane 59.93
    1-chlorotetradecane 27.22
    n-nonane 16.88
    undecane 13.34
    tert-butylcyclohexane 23.72
    cyclooctane 16.12
    cyclopentanol 207.81
    tetrahydropyran 291.34
    tert-amyl methyl ether 102.84
    2,5,8-trioxanonane 295.18
    1-hexene 99.08
    2-isopropoxyethanol 135.07
    2,2,2-trifluoroethanol 117.79
    methyl butyrate 142.41

    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