Hexenal

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1335-39-3

    Molecular formula
    C6H10O

    SMILES
    CCCC=CC=O

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Green 92.66%
    Fruity 90.25%
    Fatty 76.95%
    Pungent 69.74%
    Fresh 66.86%
    Aldehydic 62.98%
    Vegetable 62.52%
    Sweet 58.75%
    Grassy 58.58%
    Apple 57.37%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    155°C

    Flash point est.
    42.52 ˚C

  • Synonyms

    • Hexenal
    • Hex-2-enal
    • 2-Hexen-1-al
    • 1335-39-3
    • 2-hexenaldehyde
    • 3-propyl-acrolein
    • hexen-2-al
    • hexen-2-en-1-al
    • alpha.beta-Hexylenaldehyd
    • n-C3H7CH=CHCHO
    • (E)-2-hexen-1-al
    • CHEBI:19591
    • (Z)-2-hexen-1-al
    • Epitope ID:143637
    • DTXSID7021609
    • CHEBI:24578
    • DTXSID101052718
    • BCP29149
    • AKOS025243569
    • SB85391
    • NS00080067
    • D78252
    • 2-Hexenal pound>>(E)-Hex-2-enal pound>>Leaf aldehyde
    • 85761-70-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 992.25
    methanol 820.74
    isopropanol 669.4
    water 0.46
    ethyl acetate 907.33
    n-propanol 670.39
    acetone 1461.23
    n-butanol 681.37
    acetonitrile 627.82
    DMF 1440.62
    toluene 185.48
    isobutanol 465.72
    1,4-dioxane 817.03
    methyl acetate 700.25
    THF 1757.97
    2-butanone 883.61
    n-pentanol 379.11
    sec-butanol 496.4
    n-hexane 103.62
    ethylene glycol 193.61
    NMP 1423.31
    cyclohexane 133.95
    DMSO 1943.21
    n-butyl acetate 819.81
    n-octanol 211.55
    chloroform 1253.84
    n-propyl acetate 446.89
    acetic acid 981.67
    dichloromethane 1555.0
    cyclohexanone 1251.8
    propylene glycol 248.15
    isopropyl acetate 433.55
    DMAc 586.27
    2-ethoxyethanol 398.65
    isopentanol 493.79
    n-heptane 98.76
    ethyl formate 480.22
    1,2-dichloroethane 1111.26
    n-hexanol 617.13
    2-methoxyethanol 866.31
    isobutyl acetate 267.03
    tetrachloromethane 225.75
    n-pentyl acetate 328.75
    transcutol 1990.97
    n-heptanol 195.93
    ethylbenzene 119.22
    MIBK 382.61
    2-propoxyethanol 774.86
    tert-butanol 658.83
    MTBE 477.46
    2-butoxyethanol 336.35
    propionic acid 711.24
    o-xylene 130.23
    formic acid 207.75
    diethyl ether 579.45
    m-xylene 159.42
    p-xylene 141.8
    chlorobenzene 429.14
    dimethyl carbonate 207.79
    n-octane 31.49
    formamide 308.83
    cyclopentanone 1723.39
    2-pentanone 788.68
    anisole 262.65
    cyclopentyl methyl ether 713.12
    gamma-butyrolactone 1783.67
    1-methoxy-2-propanol 680.27
    pyridine 764.2
    3-pentanone 496.72
    furfural 1055.38
    n-dodecane 25.31
    diethylene glycol 526.47
    diisopropyl ether 165.77
    tert-amyl alcohol 466.33
    acetylacetone 796.36
    n-hexadecane 28.42
    acetophenone 278.2
    methyl propionate 643.8
    isopentyl acetate 591.8
    trichloroethylene 1926.99
    n-nonanol 177.61
    cyclohexanol 523.85
    benzyl alcohol 221.16
    2-ethylhexanol 336.66
    isooctanol 153.76
    dipropyl ether 413.21
    1,2-dichlorobenzene 402.4
    ethyl lactate 192.48
    propylene carbonate 813.24
    n-methylformamide 691.91
    2-pentanol 434.63
    n-pentane 94.98
    1-propoxy-2-propanol 636.26
    1-methoxy-2-propyl acetate 600.55
    2-(2-methoxypropoxy) propanol 367.71
    mesitylene 116.63
    ε-caprolactone 892.49
    p-cymene 128.05
    epichlorohydrin 1457.54
    1,1,1-trichloroethane 892.31
    2-aminoethanol 340.68
    morpholine-4-carbaldehyde 904.27
    sulfolane 2028.47
    2,2,4-trimethylpentane 40.68
    2-methyltetrahydrofuran 1295.1
    n-hexyl acetate 491.21
    isooctane 40.71
    2-(2-butoxyethoxy)ethanol 523.56
    sec-butyl acetate 274.41
    tert-butyl acetate 445.74
    decalin 61.9
    glycerin 301.32
    diglyme 836.69
    acrylic acid 567.26
    isopropyl myristate 176.55
    n-butyric acid 985.58
    acetyl acetate 431.65
    di(2-ethylhexyl) phthalate 158.16
    ethyl propionate 383.82
    nitromethane 1419.15
    1,2-diethoxyethane 607.09
    benzonitrile 379.48
    trioctyl phosphate 134.32
    1-bromopropane 631.8
    gamma-valerolactone 1438.73
    n-decanol 138.79
    triethyl phosphate 162.6
    4-methyl-2-pentanol 213.27
    propionitrile 510.22
    vinylene carbonate 618.67
    1,1,2-trichlorotrifluoroethane 810.55
    DMS 357.75
    cumene 91.98
    2-octanol 142.84
    2-hexanone 493.42
    octyl acetate 224.74
    limonene 228.91
    1,2-dimethoxyethane 677.38
    ethyl orthosilicate 156.31
    tributyl phosphate 173.25
    diacetone alcohol 541.48
    N,N-dimethylaniline 169.67
    acrylonitrile 640.55
    aniline 273.36
    1,3-propanediol 511.81
    bromobenzene 443.84
    dibromomethane 993.61
    1,1,2,2-tetrachloroethane 1242.25
    2-methyl-cyclohexyl acetate 305.29
    tetrabutyl urea 225.74
    diisobutyl methanol 199.4
    2-phenylethanol 309.82
    styrene 160.41
    dioctyl adipate 256.38
    dimethyl sulfate 358.13
    ethyl butyrate 472.21
    methyl lactate 284.41
    butyl lactate 269.61
    diethyl carbonate 277.17
    propanediol butyl ether 386.1
    triethyl orthoformate 270.6
    p-tert-butyltoluene 128.35
    methyl 4-tert-butylbenzoate 264.26
    morpholine 1064.13
    tert-butylamine 393.38
    n-dodecanol 111.16
    dimethoxymethane 627.7
    ethylene carbonate 501.34
    cyrene 287.25
    2-ethoxyethyl acetate 438.95
    2-ethylhexyl acetate 436.77
    1,2,4-trichlorobenzene 432.36
    4-methylpyridine 624.03
    dibutyl ether 306.93
    2,6-dimethyl-4-heptanol 199.4
    DEF 740.9
    dimethyl isosorbide 639.98
    tetrachloroethylene 825.46
    eugenol 293.22
    triacetin 376.63
    span 80 388.5
    1,4-butanediol 179.76
    1,1-dichloroethane 1036.31
    2-methyl-1-pentanol 307.59
    methyl formate 495.49
    2-methyl-1-butanol 427.16
    n-decane 38.96
    butyronitrile 621.89
    3,7-dimethyl-1-octanol 228.76
    1-chlorooctane 163.86
    1-chlorotetradecane 70.14
    n-nonane 40.56
    undecane 30.86
    tert-butylcyclohexane 60.7
    cyclooctane 44.13
    cyclopentanol 718.09
    tetrahydropyran 1074.43
    tert-amyl methyl ether 323.66
    2,5,8-trioxanonane 583.25
    1-hexene 306.55
    2-isopropoxyethanol 295.91
    2,2,2-trifluoroethanol 223.48
    methyl butyrate 529.22

    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

Botanical

Name CAS Botanical Proportion
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Calamus (Turkey) Acorus calamus L., fam. Araceae 1.4%