Cyclohexyl crotonate

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  • Identifiers

    CAS number
    31416-78-1

    Molecular formula
    C10H16O2

    SMILES
    C/C=C/C(=O)OC1CCCCC1

  • Odor profile

    Fruity 92.57%
    Green 66.75%
    Sweet 63.38%
    Floral 62.5%
    Apple 54.02%
    Woody 52.26%
    Herbal 47.6%
    Pineapple 42.44%
    Fresh 41.17%
    Tropical 40.19%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    229°C

    Flash point est.
    92.15 ˚C

  • Synonyms

    • Cyclohexyl crotonate
    • 31416-78-1
    • cyclohexyl (E)-but-2-enoate
    • 2-Butenoic acid, cyclohexyl ester, (2E)-
    • 8AX7B05P2T
    • Crotonic acid, cyclohexyl ester, (E)-
    • 2-Butenoic acid, cyclohexyl ester, (E)-
    • DTXSID40885499
    • Cyclohexyl (2E)-2-butenoate
    • UNII-8AX7B05P2T
    • SCHEMBL872685
    • SCHEMBL872686
    • Crotonic acid, cyclohexyl ester
    • Cyclohexyl (2E)-2-butenoate #
    • DTXCID60909828
    • AKOS006240996
    • NS00012159
    • Q27270124

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 993.42
    methanol 840.1
    isopropanol 1009.44
    water 0.24
    ethyl acetate 756.66
    n-propanol 855.99
    acetone 1324.08
    n-butanol 920.83
    acetonitrile 846.02
    DMF 1586.07
    toluene 540.48
    isobutanol 766.48
    1,4-dioxane 1164.62
    methyl acetate 663.39
    THF 1825.01
    2-butanone 926.8
    n-pentanol 600.11
    sec-butanol 901.35
    n-hexane 262.91
    ethylene glycol 95.26
    NMP 1242.45
    cyclohexane 453.49
    DMSO 1204.62
    n-butyl acetate 886.22
    n-octanol 413.84
    chloroform 3940.55
    n-propyl acetate 530.08
    acetic acid 976.44
    dichloromethane 2803.59
    cyclohexanone 1631.26
    propylene glycol 224.99
    isopropyl acetate 496.05
    DMAc 905.26
    2-ethoxyethanol 425.15
    isopentanol 790.85
    n-heptane 119.51
    ethyl formate 555.13
    1,2-dichloroethane 1617.85
    n-hexanol 782.14
    2-methoxyethanol 767.02
    isobutyl acetate 355.57
    tetrachloromethane 375.9
    n-pentyl acetate 495.7
    transcutol 1743.72
    n-heptanol 317.33
    ethylbenzene 327.53
    MIBK 493.02
    2-propoxyethanol 720.73
    tert-butanol 1042.42
    MTBE 744.78
    2-butoxyethanol 425.07
    propionic acid 711.53
    o-xylene 312.68
    formic acid 161.89
    diethyl ether 713.34
    m-xylene 333.89
    p-xylene 422.24
    chlorobenzene 1006.51
    dimethyl carbonate 235.73
    n-octane 61.54
    formamide 249.73
    cyclopentanone 1657.0
    2-pentanone 838.47
    anisole 516.3
    cyclopentyl methyl ether 828.54
    gamma-butyrolactone 1594.73
    1-methoxy-2-propanol 673.52
    pyridine 1587.92
    3-pentanone 537.07
    furfural 1288.08
    n-dodecane 51.37
    diethylene glycol 407.69
    diisopropyl ether 251.56
    tert-amyl alcohol 801.81
    acetylacetone 742.28
    n-hexadecane 59.74
    acetophenone 494.55
    methyl propionate 536.45
    isopentyl acetate 730.33
    trichloroethylene 3030.48
    n-nonanol 338.44
    cyclohexanol 993.04
    benzyl alcohol 445.6
    2-ethylhexanol 448.12
    isooctanol 269.32
    dipropyl ether 436.38
    1,2-dichlorobenzene 834.33
    ethyl lactate 236.86
    propylene carbonate 955.01
    n-methylformamide 602.21
    2-pentanol 718.28
    n-pentane 196.05
    1-propoxy-2-propanol 637.77
    1-methoxy-2-propyl acetate 532.23
    2-(2-methoxypropoxy) propanol 455.63
    mesitylene 232.7
    ε-caprolactone 1182.9
    p-cymene 208.08
    epichlorohydrin 1621.69
    1,1,1-trichloroethane 1521.0
    2-aminoethanol 267.3
    morpholine-4-carbaldehyde 906.54
    sulfolane 1706.06
    2,2,4-trimethylpentane 82.93
    2-methyltetrahydrofuran 1330.65
    n-hexyl acetate 752.64
    isooctane 75.48
    2-(2-butoxyethoxy)ethanol 617.38
    sec-butyl acetate 362.73
    tert-butyl acetate 496.97
    decalin 156.14
    glycerin 248.71
    diglyme 985.21
    acrylic acid 586.43
    isopropyl myristate 286.57
    n-butyric acid 1157.84
    acetyl acetate 498.21
    di(2-ethylhexyl) phthalate 251.25
    ethyl propionate 428.4
    nitromethane 1144.12
    1,2-diethoxyethane 611.26
    benzonitrile 869.61
    trioctyl phosphate 187.43
    1-bromopropane 1145.66
    gamma-valerolactone 1426.05
    n-decanol 242.31
    triethyl phosphate 218.07
    4-methyl-2-pentanol 356.45
    propionitrile 809.21
    vinylene carbonate 887.8
    1,1,2-trichlorotrifluoroethane 980.18
    DMS 430.35
    cumene 225.03
    2-octanol 268.79
    2-hexanone 624.13
    octyl acetate 362.06
    limonene 324.16
    1,2-dimethoxyethane 891.57
    ethyl orthosilicate 206.27
    tributyl phosphate 236.63
    diacetone alcohol 523.92
    N,N-dimethylaniline 352.58
    acrylonitrile 875.64
    aniline 652.33
    1,3-propanediol 492.79
    bromobenzene 1186.86
    dibromomethane 2113.92
    1,1,2,2-tetrachloroethane 2617.04
    2-methyl-cyclohexyl acetate 392.9
    tetrabutyl urea 296.39
    diisobutyl methanol 261.95
    2-phenylethanol 480.4
    styrene 466.16
    dioctyl adipate 390.29
    dimethyl sulfate 341.92
    ethyl butyrate 502.16
    methyl lactate 285.09
    butyl lactate 381.28
    diethyl carbonate 368.22
    propanediol butyl ether 488.11
    triethyl orthoformate 333.2
    p-tert-butyltoluene 197.82
    methyl 4-tert-butylbenzoate 420.54
    morpholine 1359.66
    tert-butylamine 735.82
    n-dodecanol 183.82
    dimethoxymethane 605.42
    ethylene carbonate 734.32
    cyrene 346.64
    2-ethoxyethyl acetate 494.01
    2-ethylhexyl acetate 542.14
    1,2,4-trichlorobenzene 928.5
    4-methylpyridine 1438.71
    dibutyl ether 512.41
    2,6-dimethyl-4-heptanol 261.95
    DEF 834.61
    dimethyl isosorbide 675.23
    tetrachloroethylene 1506.77
    eugenol 419.65
    triacetin 506.25
    span 80 486.78
    1,4-butanediol 197.3
    1,1-dichloroethane 1859.54
    2-methyl-1-pentanol 531.98
    methyl formate 439.25
    2-methyl-1-butanol 724.94
    n-decane 89.15
    butyronitrile 1080.14
    3,7-dimethyl-1-octanol 392.15
    1-chlorooctane 337.29
    1-chlorotetradecane 132.35
    n-nonane 93.36
    undecane 64.9
    tert-butylcyclohexane 130.26
    cyclooctane 113.64
    cyclopentanol 1018.54
    tetrahydropyran 1544.57
    tert-amyl methyl ether 479.49
    2,5,8-trioxanonane 678.83
    1-hexene 688.35
    2-isopropoxyethanol 347.71
    2,2,2-trifluoroethanol 232.97
    methyl butyrate 687.92

    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