5-Hexenal

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  • Identifiers

    CAS number
    764-59-0

    Molecular formula
    C6H10O

    SMILES
    C=CCCCC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 85.36%
    Fruity 73.54%
    Fatty 53.54%
    Pungent 49.11%
    Fresh 42.04%
    Aldehydic 40.74%
    Vegetable 40.11%
    Sharp 34.4%
    Melon 34.07%
    Cheesy 33.16%

     

    Flavor
    Green 74.31%
    Fatty 58.85%
    Vegetable 42.62%
    Pungent 39.16%
    Fresh 36.84%
    Aldehydic 35.12%
    Fruity 35.11%
    Fat 33.84%
    Leaf 30.25%
    Oily 29.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.4 (neutral)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    128°C

    Flash point

    • 35.78 ˚C est.

  • Synonyms

    • 5-Hexenal
    • Hex-5-enal
    • EINECS 212-127-0
    • DTXSID30227228
    • RefChem:102713
    • DTXCID30149719
    • 212-127-0
    • InChI=1/C6H10O/c1-2-3-4-5-6-7/h2,6H,1,3-5H
    • USLRUYZDOLMIRJ-UHFFFAOYSA-N
    • 764-59-0
    • LMFA06000005
    • SCHEMBL191527
    • SCHEMBL193970
    • SCHEMBL626998
    • SCHEMBL11429064
    • SCHEMBL17581065
    • CHEBI:165520
    • AKOS013638434
    • AT35286
    • CS-0103260
    • NS00037790
    • EN300-195777
    • F2147-8874
    • 764-59-0

  • Applications

    5-Hexenal (CAS 764-59-0) is a volatile aldehyde with a green, leafy aroma used primarily as an odorant and fragrance ingredient. Typical applications include fragrance and flavor industries as a fragrance note or flavor precursor; used in cosmetics and personal care as a fragrance additive; employed in household cleaning products to impart a fresh green scent; serves as an intermediate in the industrial synthesis of aroma and flavor compounds; may be derived from natural sources and used as a natural aroma component in formulations, with applications subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 703.55
    methanol 693.46
    isopropanol 451.19
    water 1.08
    ethyl acetate 567.54
    n-propanol 462.12
    acetone 902.32
    n-butanol 487.29
    acetonitrile 401.8
    DMF 775.58
    toluene 92.08
    isobutanol 312.49
    1,4-dioxane 581.96
    methyl acetate 453.15
    THF 1161.14
    2-butanone 553.22
    n-pentanol 280.79
    sec-butanol 334.63
    n-hexane 70.92
    ethylene glycol 150.32
    NMP 886.51
    cyclohexane 86.69
    DMSO 1234.56
    n-butyl acetate 589.84
    n-octanol 181.26
    chloroform 689.87
    n-propyl acetate 342.98
    acetic acid 853.8
    dichloromethane 813.11
    cyclohexanone 815.79
    propylene glycol 182.09
    isopropyl acetate 291.08
    DMAc 395.25
    2-ethoxyethanol 323.18
    isopentanol 359.55
    n-heptane 72.49
    ethyl formate 318.33
    1,2-dichloroethane 556.02
    n-hexanol 432.16
    2-methoxyethanol 603.94
    isobutyl acetate 206.38
    tetrachloromethane 120.01
    n-pentyl acetate 241.18
    transcutol 1859.2
    n-heptanol 150.01
    ethylbenzene 71.53
    MIBK 245.74
    2-propoxyethanol 551.33
    tert-butanol 434.08
    MTBE 277.74
    2-butoxyethanol 258.11
    propionic acid 511.86
    o-xylene 79.78
    formic acid 193.87
    diethyl ether 386.54
    m-xylene 84.44
    p-xylene 92.85
    chlorobenzene 236.48
    dimethyl carbonate 124.31
    n-octane 22.39
    formamide 243.83
    cyclopentanone 1071.17
    2-pentanone 485.54
    anisole 172.67
    cyclopentyl methyl ether 474.25
    gamma-butyrolactone 1159.69
    1-methoxy-2-propanol 455.9
    pyridine 465.15
    3-pentanone 311.36
    furfural 726.06
    n-dodecane 18.42
    diethylene glycol 388.45
    diisopropyl ether 107.88
    tert-amyl alcohol 317.84
    acetylacetone 507.66
    n-hexadecane 20.65
    acetophenone 196.12
    methyl propionate 380.92
    isopentyl acetate 428.5
    trichloroethylene 1047.45
    n-nonanol 148.1
    cyclohexanol 392.41
    benzyl alcohol 152.78
    2-ethylhexanol 244.96
    isooctanol 119.22
    dipropyl ether 316.41
    1,2-dichlorobenzene 235.6
    ethyl lactate 141.09
    propylene carbonate 546.14
    n-methylformamide 418.85
    2-pentanol 305.03
    n-pentane 57.34
    1-propoxy-2-propanol 461.75
    1-methoxy-2-propyl acetate 415.65
    2-(2-methoxypropoxy) propanol 298.41
    mesitylene 66.77
    ε-caprolactone 616.29
    p-cymene 87.86
    epichlorohydrin 846.23
    1,1,1-trichloroethane 429.52
    2-aminoethanol 251.51
    morpholine-4-carbaldehyde 626.26
    sulfolane 1271.96
    2,2,4-trimethylpentane 28.21
    2-methyltetrahydrofuran 888.23
    n-hexyl acetate 377.28
    isooctane 25.6
    2-(2-butoxyethoxy)ethanol 431.22
    sec-butyl acetate 206.25
    tert-butyl acetate 297.87
    decalin 42.13
    glycerin 233.35
    diglyme 707.86
    acrylic acid 414.0
    isopropyl myristate 137.62
    n-butyric acid 740.05
    acetyl acetate 312.45
    di(2-ethylhexyl) phthalate 124.39
    ethyl propionate 275.66
    nitromethane 1054.5
    1,2-diethoxyethane 533.09
    benzonitrile 231.98
    trioctyl phosphate 104.77
    1-bromopropane 342.84
    gamma-valerolactone 934.32
    n-decanol 111.32
    triethyl phosphate 131.53
    4-methyl-2-pentanol 154.78
    propionitrile 322.99
    vinylene carbonate 417.31
    1,1,2-trichlorotrifluoroethane 512.3
    DMS 272.84
    cumene 61.72
    2-octanol 111.18
    2-hexanone 358.57
    octyl acetate 174.97
    limonene 159.16
    1,2-dimethoxyethane 504.58
    ethyl orthosilicate 124.04
    tributyl phosphate 142.29
    diacetone alcohol 344.04
    N,N-dimethylaniline 117.5
    acrylonitrile 400.91
    aniline 165.97
    1,3-propanediol 377.11
    bromobenzene 232.11
    dibromomethane 528.48
    1,1,2,2-tetrachloroethane 684.5
    2-methyl-cyclohexyl acetate 246.85
    tetrabutyl urea 175.3
    diisobutyl methanol 140.49
    2-phenylethanol 213.27
    styrene 93.91
    dioctyl adipate 205.74
    dimethyl sulfate 219.55
    ethyl butyrate 361.78
    methyl lactate 187.01
    butyl lactate 213.41
    diethyl carbonate 215.52
    propanediol butyl ether 306.12
    triethyl orthoformate 217.04
    p-tert-butyltoluene 82.82
    methyl 4-tert-butylbenzoate 206.94
    morpholine 697.84
    tert-butylamine 249.88
    n-dodecanol 87.9
    dimethoxymethane 352.84
    ethylene carbonate 336.11
    cyrene 229.13
    2-ethoxyethyl acetate 333.31
    2-ethylhexyl acetate 318.37
    1,2,4-trichlorobenzene 254.58
    4-methylpyridine 358.07
    dibutyl ether 268.83
    2,6-dimethyl-4-heptanol 140.49
    DEF 467.39
    dimethyl isosorbide 498.68
    tetrachloroethylene 485.06
    eugenol 222.03
    triacetin 323.38
    span 80 311.17
    1,4-butanediol 144.67
    1,1-dichloroethane 513.88
    2-methyl-1-pentanol 232.29
    methyl formate 312.93
    2-methyl-1-butanol 310.79
    n-decane 29.83
    butyronitrile 392.33
    3,7-dimethyl-1-octanol 184.14
    1-chlorooctane 124.28
    1-chlorotetradecane 50.59
    n-nonane 31.25
    undecane 22.87
    tert-butylcyclohexane 40.15
    cyclooctane 26.89
    cyclopentanol 486.92
    tetrahydropyran 742.93
    tert-amyl methyl ether 208.38
    2,5,8-trioxanonane 481.37
    1-hexene 211.72
    2-isopropoxyethanol 243.68
    2,2,2-trifluoroethanol 191.05
    methyl butyrate 381.44

    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