trans-4-Hexenal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    25166-87-4

    Molecular formula
    C6H10O

    SMILES
    C/C=C/CCC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Green 92.38%
    Fruity 66.97%
    Vegetable 60.4%
    Fatty 59.75%
    Fresh 53.1%
    Melon 48.8%
    Pungent 46.05%
    Leafy 45.93%
    Aldehydic 43.15%
    Grassy 42.04%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 73.00 to 75.00 °C. @ 100.00 mm Hg

    Flash point est.
    41.42 ˚C

    Solubility expt.

    • slightly
    • Soluble in hexane and diethyl ether; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 4-Hexenal
    • (E)-hex-4-enal
    • trans-4-Hexenal
    • 4-Hexenal, (4E)-
    • (E)-4-Hexenal
    • 4-Hexenal, (E)-
    • 25166-87-4
    • FEMA no. 4046, E-
    • (z)-4-hexenal
    • K2X217GIZQ
    • 2100-19-8
    • UNII-K2X217GIZQ
    • 4-HEXENAL, TRANS-
    • DTXSID50179836
    • 4-HEXENAL trans
    • LMFA06000004
    • (4E)-4-hexenal
    • F5UN44K0LE
    • FEMA NO. 4045
    • TRANS-4-HEXENAL [FHFI]
    • FEMA 3496
    • DTXCID10102327
    • CHEBI:173333
    • DPCMFIRORYQTCL-NSCUHMNNSA-N
    • TRANS-4-HEXENAL, (E)-AND (Z)-
    • NS00121086
    • Q27281869

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1192.82
    methanol 1007.84
    isopropanol 827.18
    water 0.85
    ethyl acetate 1125.4
    n-propanol 830.41
    acetone 1680.14
    n-butanol 879.68
    acetonitrile 926.48
    DMF 1275.79
    toluene 246.37
    isobutanol 556.95
    1,4-dioxane 1140.42
    methyl acetate 821.61
    THF 2042.05
    2-butanone 1051.42
    n-pentanol 485.41
    sec-butanol 627.08
    n-hexane 176.29
    ethylene glycol 197.51
    NMP 1379.68
    cyclohexane 216.59
    DMSO 1916.58
    n-butyl acetate 913.3
    n-octanol 268.33
    chloroform 1717.21
    n-propyl acetate 554.19
    acetic acid 1100.03
    dichloromethane 2074.0
    cyclohexanone 1429.36
    propylene glycol 261.57
    isopropyl acetate 526.11
    DMAc 603.42
    2-ethoxyethanol 502.7
    isopentanol 615.16
    n-heptane 155.01
    ethyl formate 535.78
    1,2-dichloroethane 1289.18
    n-hexanol 692.61
    2-methoxyethanol 943.4
    isobutyl acetate 307.63
    tetrachloromethane 346.75
    n-pentyl acetate 377.4
    transcutol 2457.51
    n-heptanol 227.39
    ethylbenzene 148.21
    MIBK 425.79
    2-propoxyethanol 843.53
    tert-butanol 819.62
    MTBE 622.26
    2-butoxyethanol 381.93
    propionic acid 772.44
    o-xylene 157.03
    formic acid 220.54
    diethyl ether 921.45
    m-xylene 180.69
    p-xylene 178.82
    chlorobenzene 481.98
    dimethyl carbonate 210.58
    n-octane 44.88
    formamide 325.45
    cyclopentanone 1805.28
    2-pentanone 961.85
    anisole 321.83
    cyclopentyl methyl ether 896.27
    gamma-butyrolactone 1862.39
    1-methoxy-2-propanol 709.22
    pyridine 961.39
    3-pentanone 607.39
    furfural 1041.43
    n-dodecane 32.51
    diethylene glycol 532.74
    diisopropyl ether 223.23
    tert-amyl alcohol 587.46
    acetylacetone 867.66
    n-hexadecane 36.57
    acetophenone 301.87
    methyl propionate 707.92
    isopentyl acetate 633.79
    trichloroethylene 2095.44
    n-nonanol 217.14
    cyclohexanol 684.88
    benzyl alcohol 259.3
    2-ethylhexanol 396.84
    isooctanol 180.19
    dipropyl ether 564.31
    1,2-dichlorobenzene 410.89
    ethyl lactate 198.25
    propylene carbonate 843.11
    n-methylformamide 674.46
    2-pentanol 563.17
    n-pentane 156.14
    1-propoxy-2-propanol 667.04
    1-methoxy-2-propyl acetate 587.56
    2-(2-methoxypropoxy) propanol 399.62
    mesitylene 123.42
    ε-caprolactone 1039.33
    p-cymene 138.35
    epichlorohydrin 1494.69
    1,1,1-trichloroethane 1058.35
    2-aminoethanol 371.56
    morpholine-4-carbaldehyde 954.59
    sulfolane 1949.58
    2,2,4-trimethylpentane 59.17
    2-methyltetrahydrofuran 1674.19
    n-hexyl acetate 556.5
    isooctane 51.29
    2-(2-butoxyethoxy)ethanol 591.24
    sec-butyl acetate 339.27
    tert-butyl acetate 500.28
    decalin 79.74
    glycerin 313.23
    diglyme 997.85
    acrylic acid 601.66
    isopropyl myristate 199.3
    n-butyric acid 1169.03
    acetyl acetate 520.76
    di(2-ethylhexyl) phthalate 172.84
    ethyl propionate 445.56
    nitromethane 1554.21
    1,2-diethoxyethane 853.95
    benzonitrile 434.15
    trioctyl phosphate 141.82
    1-bromopropane 902.79
    gamma-valerolactone 1509.16
    n-decanol 160.43
    triethyl phosphate 190.1
    4-methyl-2-pentanol 255.2
    propionitrile 673.24
    vinylene carbonate 652.24
    1,1,2-trichlorotrifluoroethane 835.07
    DMS 385.93
    cumene 108.55
    2-octanol 172.66
    2-hexanone 606.35
    octyl acetate 247.21
    limonene 262.17
    1,2-dimethoxyethane 850.4
    ethyl orthosilicate 187.25
    tributyl phosphate 194.36
    diacetone alcohol 552.94
    N,N-dimethylaniline 194.75
    acrylonitrile 776.46
    aniline 354.22
    1,3-propanediol 575.53
    bromobenzene 525.2
    dibromomethane 1386.88
    1,1,2,2-tetrachloroethane 1372.79
    2-methyl-cyclohexyl acetate 343.58
    tetrabutyl urea 236.92
    diisobutyl methanol 218.62
    2-phenylethanol 322.34
    styrene 210.31
    dioctyl adipate 292.93
    dimethyl sulfate 343.14
    ethyl butyrate 554.78
    methyl lactate 261.2
    butyl lactate 281.03
    diethyl carbonate 322.01
    propanediol butyl ether 409.33
    triethyl orthoformate 326.43
    p-tert-butyltoluene 133.37
    methyl 4-tert-butylbenzoate 280.89
    morpholine 1365.17
    tert-butylamine 524.0
    n-dodecanol 125.67
    dimethoxymethane 636.79
    ethylene carbonate 534.45
    cyrene 298.35
    2-ethoxyethyl acetate 493.63
    2-ethylhexyl acetate 485.25
    1,2,4-trichlorobenzene 448.92
    4-methylpyridine 770.34
    dibutyl ether 448.38
    2,6-dimethyl-4-heptanol 218.62
    DEF 863.7
    dimethyl isosorbide 658.63
    tetrachloroethylene 947.44
    eugenol 303.25
    triacetin 446.64
    span 80 413.22
    1,4-butanediol 207.62
    1,1-dichloroethane 1290.8
    2-methyl-1-pentanol 397.26
    methyl formate 491.74
    2-methyl-1-butanol 555.05
    n-decane 54.69
    butyronitrile 851.58
    3,7-dimethyl-1-octanol 266.14
    1-chlorooctane 214.79
    1-chlorotetradecane 82.38
    n-nonane 58.73
    undecane 41.07
    tert-butylcyclohexane 75.61
    cyclooctane 61.97
    cyclopentanol 837.73
    tetrahydropyran 1499.65
    tert-amyl methyl ether 425.96
    2,5,8-trioxanonane 660.24
    1-hexene 499.78
    2-isopropoxyethanol 373.88
    2,2,2-trifluoroethanol 257.71
    methyl butyrate 632.31

    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