Butanoic acid, 2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl ester

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  • Identifiers

    CAS number
    93919-04-1

    Molecular formula
    C14H22O2

    SMILES
    CCCC(=O)OC1CC(CC=C1C)C(=C)C

  • Odor profile

    Fragrance
    Fruity 94.79%
    Herbal 72.73%
    Mint 68.15%
    Sweet 66.28%
    Spicy 47.22%
    Apple 35.21%
    Berry 33.34%
    Cooling 31.29%
    Green 30.46%
    Warm 29.5%

     

    Flavor
    Minty 41.7%
    Herbal 34.82%
    Fruity 28.91%
    Mint 28.36%
    Fresh 26.36%
    Spicy 26.01%
    Floral 24.09%
    Spice 23.49%
    Tropical 22.84%
    Peppermint 22.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.85 (neutral)

    Molecular weight
    222.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 118.45 ˚C est.

  • Synonyms

    • 93919-04-1
    • 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl butyrate
    • (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) butanoate
    • Butanoic acid, 2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl ester
    • Carvyl butyrate
    • EINECS 299-987-0
    • DTXSID60869150
    • NFYWZJFDZXGDJZ-UHFFFAOYSA-N
    • NS00063860
    • 2-Methyl-5-(1-propen-2-yl)-2-cyclohexen-1-yl butanoate

  • Applications

    Butanoic acid, 2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl ester (CAS 93919-04-1) is used primarily as a fragrance ingredient in perfumery and cosmetics, where the terpenoid-derived aroma can act as a note and, in some formulations, as a fixative to improve fragrance longevity; it may also be employed in household products such as air fresheners and scented cleaners to impart green, woody and citrus-like notes; in limited cases it is evaluated for flavor/aroma applications in food and beverages; in industrial manufacturing it can serve as an odorant additive in coatings, inks and other polymer-based products; and it may function as an intermediate or precursor in fragrance chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2466.21
    methanol 2158.1
    isopropanol 2440.54
    water 0.35
    ethyl acetate 1518.73
    n-propanol 2037.34
    acetone 1325.88
    n-butanol 2116.09
    acetonitrile 1103.56
    DMF 1632.04
    toluene 1148.57
    isobutanol 1602.78
    1,4-dioxane 2902.34
    methyl acetate 1046.52
    THF 2521.34
    2-butanone 1385.5
    n-pentanol 1477.67
    sec-butanol 2239.57
    n-hexane 222.97
    ethylene glycol 126.7
    NMP 944.53
    cyclohexane 337.51
    DMSO 994.4
    n-butyl acetate 1321.98
    n-octanol 457.12
    chloroform 3991.05
    n-propyl acetate 871.76
    acetic acid 917.12
    dichloromethane 2718.13
    cyclohexanone 1697.41
    propylene glycol 375.52
    isopropyl acetate 1130.1
    DMAc 1435.71
    2-ethoxyethanol 1052.15
    isopentanol 1941.31
    n-heptane 62.34
    ethyl formate 713.32
    1,2-dichloroethane 1704.17
    n-hexanol 1510.17
    2-methoxyethanol 1497.03
    isobutyl acetate 604.71
    tetrachloromethane 437.77
    n-pentyl acetate 603.26
    transcutol 3673.0
    n-heptanol 493.1
    ethylbenzene 574.33
    MIBK 824.95
    2-propoxyethanol 1546.0
    tert-butanol 2573.44
    MTBE 2380.97
    2-butoxyethanol 732.44
    propionic acid 677.07
    o-xylene 576.59
    formic acid 212.9
    diethyl ether 1947.61
    m-xylene 645.35
    p-xylene 692.61
    chlorobenzene 1047.05
    dimethyl carbonate 267.06
    n-octane 29.56
    formamide 347.34
    cyclopentanone 1245.89
    2-pentanone 1207.94
    anisole 924.61
    cyclopentyl methyl ether 1159.63
    gamma-butyrolactone 1147.35
    1-methoxy-2-propanol 1405.18
    pyridine 1923.97
    3-pentanone 735.03
    furfural 1129.11
    n-dodecane 25.74
    diethylene glycol 748.01
    diisopropyl ether 525.04
    tert-amyl alcohol 2125.98
    acetylacetone 987.68
    n-hexadecane 30.92
    acetophenone 675.3
    methyl propionate 737.89
    isopentyl acetate 1306.96
    trichloroethylene 3070.24
    n-nonanol 396.42
    cyclohexanol 1612.12
    benzyl alcohol 817.58
    2-ethylhexanol 693.48
    isooctanol 415.96
    dipropyl ether 604.68
    1,2-dichlorobenzene 857.3
    ethyl lactate 298.46
    propylene carbonate 800.23
    n-methylformamide 579.23
    2-pentanol 1613.31
    n-pentane 188.73
    1-propoxy-2-propanol 1125.0
    1-methoxy-2-propyl acetate 975.11
    2-(2-methoxypropoxy) propanol 708.73
    mesitylene 367.06
    ε-caprolactone 1479.04
    p-cymene 252.34
    epichlorohydrin 1928.04
    1,1,1-trichloroethane 1696.05
    2-aminoethanol 511.83
    morpholine-4-carbaldehyde 1294.97
    sulfolane 888.7
    2,2,4-trimethylpentane 107.37
    2-methyltetrahydrofuran 2235.07
    n-hexyl acetate 890.83
    isooctane 90.32
    2-(2-butoxyethoxy)ethanol 1118.67
    sec-butyl acetate 710.6
    tert-butyl acetate 1054.71
    decalin 149.04
    glycerin 374.93
    diglyme 1699.21
    acrylic acid 430.64
    isopropyl myristate 294.86
    n-butyric acid 1523.76
    acetyl acetate 692.37
    di(2-ethylhexyl) phthalate 290.28
    ethyl propionate 674.74
    nitromethane 989.9
    1,2-diethoxyethane 1442.25
    benzonitrile 1000.73
    trioctyl phosphate 193.22
    1-bromopropane 1369.07
    gamma-valerolactone 1744.32
    n-decanol 276.96
    triethyl phosphate 243.51
    4-methyl-2-pentanol 831.07
    propionitrile 1051.99
    vinylene carbonate 738.16
    1,1,2-trichlorotrifluoroethane 1026.56
    DMS 510.4
    cumene 360.7
    2-octanol 370.06
    2-hexanone 940.77
    octyl acetate 376.78
    limonene 388.49
    1,2-dimethoxyethane 1825.97
    ethyl orthosilicate 265.72
    tributyl phosphate 260.27
    diacetone alcohol 985.93
    N,N-dimethylaniline 547.1
    acrylonitrile 840.61
    aniline 1164.6
    1,3-propanediol 1005.65
    bromobenzene 1167.75
    dibromomethane 1981.35
    1,1,2,2-tetrachloroethane 2669.75
    2-methyl-cyclohexyl acetate 498.9
    tetrabutyl urea 296.33
    diisobutyl methanol 347.68
    2-phenylethanol 833.2
    styrene 733.29
    dioctyl adipate 381.65
    dimethyl sulfate 308.22
    ethyl butyrate 672.03
    methyl lactate 316.36
    butyl lactate 470.05
    diethyl carbonate 424.43
    propanediol butyl ether 724.94
    triethyl orthoformate 444.8
    p-tert-butyltoluene 240.63
    methyl 4-tert-butylbenzoate 515.75
    morpholine 3609.7
    tert-butylamine 1719.22
    n-dodecanol 199.29
    dimethoxymethane 956.83
    ethylene carbonate 691.1
    cyrene 464.43
    2-ethoxyethyl acetate 815.68
    2-ethylhexyl acetate 890.07
    1,2,4-trichlorobenzene 964.1
    4-methylpyridine 2236.76
    dibutyl ether 608.98
    2,6-dimethyl-4-heptanol 347.68
    DEF 1253.88
    dimethyl isosorbide 912.3
    tetrachloroethylene 1512.4
    eugenol 558.91
    triacetin 578.05
    span 80 621.53
    1,4-butanediol 370.66
    1,1-dichloroethane 2097.58
    2-methyl-1-pentanol 1351.62
    methyl formate 367.79
    2-methyl-1-butanol 1753.9
    n-decane 48.49
    butyronitrile 1519.95
    3,7-dimethyl-1-octanol 556.27
    1-chlorooctane 275.24
    1-chlorotetradecane 100.72
    n-nonane 43.45
    undecane 33.73
    tert-butylcyclohexane 139.32
    cyclooctane 85.06
    cyclopentanol 1151.29
    tetrahydropyran 3228.36
    tert-amyl methyl ether 1345.33
    2,5,8-trioxanonane 1081.36
    1-hexene 905.0
    2-isopropoxyethanol 827.01
    2,2,2-trifluoroethanol 200.18
    methyl butyrate 956.66

    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