Hexyl crotonate

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  • Identifiers

    CAS number
    19089-92-0

    Molecular formula
    C10H18O2

    SMILES
    CCCCCCOC(=O)/C=C/C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 91.66%
    Green 79.15%
    Apple 60.69%
    Sweet 55.91%
    Fresh 53.77%
    Herbal 52.57%
    Tropical 50.52%
    Waxy 46.17%
    Pineapple 46.03%
    Banana 44.48%

     

    Flavor
    Green 47.95%
    Fruity 47.11%
    Fatty 29.94%
    Tropical 26.52%
    Vegetable 24.59%
    Cheese 22.95%
    Grassy 22.41%
    Apple 22.3%
    Oily 21.75%
    Sweet 21.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.92 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 81.47 ˚C est.

    Solubility expt.

    • Insoluble in water, propylene glycol; soluble in most fixed oils
    • Soluble (in ethanol)

  • Synonyms

    • Hexyl crotonate
    • Hexyl trans-2-butenoate
    • Hexyl 2-butenoate
    • 2-Butenoic acid, hexyl ester
    • 19089-92-0
    • hexyl but-2-enoate
    • n-Hexyl 2-butenoate
    • 1617-25-0
    • CROTONIC ACID, HEXYL ESTER
    • hexyl (E)-but-2-enoate
    • FEMA No. 3354
    • 2-Butenoic acid, hexyl ester, (2E)-
    • hexylcrotonate
    • n-Hexyl 2-butenoate (natural)
    • HEXYL-2-BUTENOATE
    • Crotonic acid, hexyl ester, (E)-
    • EINECS 242-808-8
    • NSC 67983
    • BRN 2431113
    • AI3-04687
    • L8K16M475M
    • 2-Butenoic acid, hexyl ester, (E)-
    • TRANS-HEXYL CROTONATE
    • HEXYL (E)-2-BUTENOATE
    • HEXYL 2-BUTENOATE, N-
    • HEXYL TRANS-BUT-2-ENOATE
    • HEXYL-2-BUTENOATE [FCC]
    • DTXSID00883532
    • N-HEXYL-2-BUTENOATE [FHFI]
    • NSC-67983
    • N-HEXYL-2-BUTENOATE
    • DTXSID5066455
    • UNII-L8K16M475M
    • Hexenyl crotonate
    • hexylbut-2-enoate
    • Hexyl (2E)-2-butenoate #
    • SCHEMBL111969
    • SCHEMBL111970
    • CHEMBL3273404
    • DTXCID0036009
    • DTXCID00211356
    • CHEBI:180227
    • MFCD00169860
    • AKOS024437680
    • Hexyl trans-2-butenoate, >=95%, FG
    • Hexyl trans-2-butenoate, >=95%, FCC
    • AS-59594
    • DB-265195
    • NS00087109
    • WE(6:0/4:1(2Z))
    • Q27282837
    • 240-997-1

  • Applications

    Hexyl crotonate, CAS 19089-92-0, is commonly used as a fragrance ingredient and fixative in perfumery, helping to extend and stabilize aroma notes. It is also employed in cosmetics and personal care formulations as a fragrance component and a carrier solvent for aroma blends. In household products, it can serve as a fragrance additive and a lightweight solvent in cleaners and detergents. In industrial manufacturing, it may act as an intermediate in chemical synthesis or as a formulation component. In polymers and plastics, it can function as a processing aid or modifier in specialized resin or coating formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9016.18
    methanol 9509.87
    isopropanol 7014.35
    water 0.21
    ethyl acetate 6919.81
    n-propanol 6419.16
    acetone 13457.79
    n-butanol 5780.46
    acetonitrile 7636.38
    DMF 9550.66
    toluene 2137.38
    isobutanol 5005.36
    1,4-dioxane 6199.53
    methyl acetate 4984.82
    THF 9370.87
    2-butanone 7796.1
    n-pentanol 3716.53
    sec-butanol 5918.73
    n-hexane 1557.5
    ethylene glycol 649.21
    NMP 6065.77
    cyclohexane 1846.24
    DMSO 9561.47
    n-butyl acetate 4980.59
    n-octanol 1326.98
    chloroform 9386.96
    n-propyl acetate 3781.52
    acetic acid 5760.21
    dichloromethane 9885.11
    cyclohexanone 9506.81
    propylene glycol 1230.89
    isopropyl acetate 3576.96
    DMAc 4129.57
    2-ethoxyethanol 2790.45
    isopentanol 4748.52
    n-heptane 443.2
    ethyl formate 3056.99
    1,2-dichloroethane 8122.23
    n-hexanol 3685.5
    2-methoxyethanol 5347.54
    isobutyl acetate 1842.66
    tetrachloromethane 1339.09
    n-pentyl acetate 2230.46
    transcutol 9046.34
    n-heptanol 1128.88
    ethylbenzene 1160.12
    MIBK 2923.26
    2-propoxyethanol 3819.35
    tert-butanol 7036.25
    MTBE 6534.75
    2-butoxyethanol 1688.29
    propionic acid 3898.2
    o-xylene 1071.98
    formic acid 964.11
    diethyl ether 7508.16
    m-xylene 1304.01
    p-xylene 1439.35
    chlorobenzene 3045.98
    dimethyl carbonate 1061.9
    n-octane 180.96
    formamide 1666.93
    cyclopentanone 8068.62
    2-pentanone 6899.81
    anisole 1918.81
    cyclopentyl methyl ether 5286.91
    gamma-butyrolactone 7485.95
    1-methoxy-2-propanol 4195.82
    pyridine 6507.32
    3-pentanone 4084.77
    furfural 4316.65
    n-dodecane 120.66
    diethylene glycol 1932.12
    diisopropyl ether 1697.38
    tert-amyl alcohol 5507.73
    acetylacetone 4834.06
    n-hexadecane 143.79
    acetophenone 1689.64
    methyl propionate 4147.6
    isopentyl acetate 3556.72
    trichloroethylene 11768.15
    n-nonanol 1079.34
    cyclohexanol 5001.83
    benzyl alcohol 1539.99
    2-ethylhexanol 1896.49
    isooctanol 938.72
    dipropyl ether 2523.92
    1,2-dichlorobenzene 2344.22
    ethyl lactate 953.92
    propylene carbonate 3494.35
    n-methylformamide 4107.0
    2-pentanol 4529.04
    n-pentane 1037.98
    1-propoxy-2-propanol 2991.48
    1-methoxy-2-propyl acetate 2685.62
    2-(2-methoxypropoxy) propanol 1498.77
    mesitylene 806.79
    ε-caprolactone 5934.47
    p-cymene 591.08
    epichlorohydrin 8117.3
    1,1,1-trichloroethane 6503.19
    2-aminoethanol 1886.56
    morpholine-4-carbaldehyde 4227.15
    sulfolane 7712.44
    2,2,4-trimethylpentane 323.06
    2-methyltetrahydrofuran 8687.36
    n-hexyl acetate 2956.75
    isooctane 289.03
    2-(2-butoxyethoxy)ethanol 2290.93
    sec-butyl acetate 2189.64
    tert-butyl acetate 3207.69
    decalin 535.02
    glycerin 1139.2
    diglyme 3813.92
    acrylic acid 2755.97
    isopropyl myristate 938.83
    n-butyric acid 6677.57
    acetyl acetate 2632.19
    di(2-ethylhexyl) phthalate 686.32
    ethyl propionate 2771.79
    nitromethane 8013.22
    1,2-diethoxyethane 3838.81
    benzonitrile 2650.83
    trioctyl phosphate 553.1
    1-bromopropane 6186.73
    gamma-valerolactone 7310.55
    n-decanol 738.9
    triethyl phosphate 694.27
    4-methyl-2-pentanol 1724.86
    propionitrile 5049.2
    vinylene carbonate 2857.63
    1,1,2-trichlorotrifluoroethane 4170.39
    DMS 1618.06
    cumene 657.55
    2-octanol 946.31
    2-hexanone 4179.98
    octyl acetate 1212.6
    limonene 1162.74
    1,2-dimethoxyethane 5516.01
    ethyl orthosilicate 704.26
    tributyl phosphate 782.27
    diacetone alcohol 2934.78
    N,N-dimethylaniline 1138.53
    acrylonitrile 5261.25
    aniline 2651.49
    1,3-propanediol 2778.74
    bromobenzene 3478.62
    dibromomethane 7784.79
    1,1,2,2-tetrachloroethane 9141.71
    2-methyl-cyclohexyl acetate 1434.7
    tetrabutyl urea 1019.28
    diisobutyl methanol 908.18
    2-phenylethanol 1584.47
    styrene 1757.04
    dioctyl adipate 1180.94
    dimethyl sulfate 1552.06
    ethyl butyrate 2359.97
    methyl lactate 1311.48
    butyl lactate 1427.08
    diethyl carbonate 1255.69
    propanediol butyl ether 1776.82
    triethyl orthoformate 1238.8
    p-tert-butyltoluene 561.91
    methyl 4-tert-butylbenzoate 1184.18
    morpholine 9411.54
    tert-butylamine 4681.36
    n-dodecanol 538.3
    dimethoxymethane 4136.7
    ethylene carbonate 2510.9
    cyrene 1086.02
    2-ethoxyethyl acetate 2355.45
    2-ethylhexyl acetate 2552.44
    1,2,4-trichlorobenzene 2536.19
    4-methylpyridine 6337.93
    dibutyl ether 2390.02
    2,6-dimethyl-4-heptanol 908.18
    DEF 6191.56
    dimethyl isosorbide 2256.83
    tetrachloroethylene 5316.53
    eugenol 1199.5
    triacetin 1779.7
    span 80 1615.1
    1,4-butanediol 1059.4
    1,1-dichloroethane 8808.56
    2-methyl-1-pentanol 2927.26
    methyl formate 2541.16
    2-methyl-1-butanol 4336.82
    n-decane 227.41
    butyronitrile 6671.19
    3,7-dimethyl-1-octanol 1344.23
    1-chlorooctane 1084.01
    1-chlorotetradecane 354.57
    n-nonane 248.99
    undecane 161.09
    tert-butylcyclohexane 472.85
    cyclooctane 400.62
    cyclopentanol 4799.07
    tetrahydropyran 10670.2
    tert-amyl methyl ether 3707.23
    2,5,8-trioxanonane 2341.82
    1-hexene 4573.29
    2-isopropoxyethanol 2052.27
    2,2,2-trifluoroethanol 1047.61
    methyl butyrate 4384.91

    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