Butanoic acid, 2-methyl-5-(1-methylethenyl)cyclohexyl ester, (1alpha,2beta,5alpha)-

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  • Identifiers

    CAS number
    93892-03-6

    Molecular formula
    C14H24O2

    SMILES
    CCCC(=O)O[C@H]1C[C@H](CC[C@@H]1C)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 92.73%
    Herbal 69.85%
    Sweet 68.49%
    Mint 63.47%
    Floral 59.16%
    Rose 44.65%
    Spicy 43.81%
    Woody 37.37%
    Apple 36.93%
    Berry 35.8%

     

    Flavor
    Fruity 45.9%
    Minty 42.24%
    Herbal 39.69%
    Tropical 37.66%
    Floral 37.07%
    Sweet 34.65%
    Mint 33.36%
    Fresh 31.49%
    Berry 29.91%
    Spicy 25.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.08 (weak base)

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 112.98 ˚C est.

  • Synonyms

    • 93892-03-6
    • EINECS 299-483-0
    • (1alpha,2beta,5alpha)-2-Methyl-5-(1-methylvinyl)cyclohexyl butyrate
    • DTXSID601148845
    • Butanoic acid, 2-methyl-5-(1-methylethenyl)cyclohexyl ester, (1alpha,2beta,5alpha)-
    • RefChem:571393
    • DTXCID401580407
    • Butanoic acid, 2-methyl-5-(1-methylethenyl)cyclohexyl ester, (1.alpha.,2.beta.,5.alpha.)-
    • 299-483-0
    • Dihydro carvyl butyrate
    • AQCLKGPUNWCCQN-AVGNSLFASA-N
    • (1S,2S,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohexyl butanoate
    • NS00062985
    • Butanoic acid, 2-methyl-5-(1-methylethenyl)cyclohexyl ester, (1I+/-,2I(2),5I+/-)-
    • 93892-03-6

  • Applications

    Chemical name and CAS: Butanoic acid, 2-methyl-5-(1-methylethenyl)cyclohexyl ester, (1alpha,2beta,5alpha)-, CAS 93892-03-6, is primarily used in fragrance and cosmetic applications as a fragrance ingredient and fixative, helping to impart a woody-green character and extend scent life in formulations. It is commonly evaluated as an intermediate in fragrance synthesis and may serve as a processing aid or solvent in household products, coatings/inks, and other industrial formulations; in polymers or plastics it may function as a plasticizer or processing aid where compatible, while in personal care products it is used as a fragrance component within complex formulas, with usage subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6759.38
    methanol 7086.18
    isopropanol 6768.73
    water 0.63
    ethyl acetate 3759.36
    n-propanol 5213.06
    acetone 3762.97
    n-butanol 5065.33
    acetonitrile 3050.23
    DMF 2934.67
    toluene 1915.11
    isobutanol 3965.21
    1,4-dioxane 5844.17
    methyl acetate 2288.0
    THF 5755.39
    2-butanone 3073.91
    n-pentanol 3072.0
    sec-butanol 4789.75
    n-hexane 428.48
    ethylene glycol 294.76
    NMP 1563.44
    cyclohexane 726.43
    DMSO 2061.3
    n-butyl acetate 3274.88
    n-octanol 891.77
    chloroform 7622.43
    n-propyl acetate 2022.53
    acetic acid 2400.69
    dichloromethane 5300.86
    cyclohexanone 3920.4
    propylene glycol 757.74
    isopropyl acetate 2860.77
    DMAc 2019.35
    2-ethoxyethanol 2188.7
    isopentanol 4276.3
    n-heptane 124.41
    ethyl formate 1964.8
    1,2-dichloroethane 3377.28
    n-hexanol 3363.05
    2-methoxyethanol 3498.92
    isobutyl acetate 1388.55
    tetrachloromethane 916.24
    n-pentyl acetate 1366.37
    transcutol 6630.11
    n-heptanol 987.08
    ethylbenzene 946.33
    MIBK 1820.2
    2-propoxyethanol 3313.19
    tert-butanol 6067.18
    MTBE 5510.52
    2-butoxyethanol 1456.4
    propionic acid 1637.59
    o-xylene 945.27
    formic acid 557.7
    diethyl ether 4735.32
    m-xylene 1099.27
    p-xylene 1177.64
    chlorobenzene 2066.33
    dimethyl carbonate 467.69
    n-octane 57.91
    formamide 800.62
    cyclopentanone 2765.84
    2-pentanone 2921.58
    anisole 1563.41
    cyclopentyl methyl ether 2462.39
    gamma-butyrolactone 2635.7
    1-methoxy-2-propanol 3038.14
    pyridine 4014.67
    3-pentanone 1495.2
    furfural 2303.32
    n-dodecane 46.18
    diethylene glycol 1522.06
    diisopropyl ether 1183.44
    tert-amyl alcohol 4146.26
    acetylacetone 2172.91
    n-hexadecane 55.7
    acetophenone 1119.86
    methyl propionate 1609.75
    isopentyl acetate 3089.56
    trichloroethylene 5674.6
    n-nonanol 720.98
    cyclohexanol 3529.69
    benzyl alcohol 1433.86
    2-ethylhexanol 1436.13
    isooctanol 831.21
    dipropyl ether 1407.58
    1,2-dichlorobenzene 1513.57
    ethyl lactate 535.4
    propylene carbonate 1713.35
    n-methylformamide 1437.21
    2-pentanol 3442.76
    n-pentane 382.28
    1-propoxy-2-propanol 2436.73
    1-methoxy-2-propyl acetate 1998.98
    2-(2-methoxypropoxy) propanol 1131.39
    mesitylene 627.01
    ε-caprolactone 3241.39
    p-cymene 444.9
    epichlorohydrin 3939.25
    1,1,1-trichloroethane 3467.84
    2-aminoethanol 1179.73
    morpholine-4-carbaldehyde 2304.6
    sulfolane 1733.18
    2,2,4-trimethylpentane 181.63
    2-methyltetrahydrofuran 4819.44
    n-hexyl acetate 1813.53
    isooctane 162.63
    2-(2-butoxyethoxy)ethanol 1831.87
    sec-butyl acetate 1596.83
    tert-butyl acetate 2301.36
    decalin 247.61
    glycerin 707.32
    diglyme 3033.25
    acrylic acid 959.83
    isopropyl myristate 543.43
    n-butyric acid 4048.75
    acetyl acetate 1581.97
    di(2-ethylhexyl) phthalate 475.5
    ethyl propionate 1395.58
    nitromethane 2456.7
    1,2-diethoxyethane 2967.11
    benzonitrile 2038.29
    trioctyl phosphate 330.71
    1-bromopropane 2895.8
    gamma-valerolactone 3802.96
    n-decanol 494.27
    triethyl phosphate 417.96
    4-methyl-2-pentanol 1670.09
    propionitrile 2615.74
    vinylene carbonate 1556.1
    1,1,2-trichlorotrifluoroethane 1853.47
    DMS 893.65
    cumene 584.33
    2-octanol 757.62
    2-hexanone 2150.8
    octyl acetate 690.07
    limonene 730.9
    1,2-dimethoxyethane 4114.07
    ethyl orthosilicate 461.76
    tributyl phosphate 460.4
    diacetone alcohol 1936.43
    N,N-dimethylaniline 829.78
    acrylonitrile 2002.33
    aniline 2144.85
    1,3-propanediol 2377.71
    bromobenzene 2228.84
    dibromomethane 3963.09
    1,1,2,2-tetrachloroethane 4839.73
    2-methyl-cyclohexyl acetate 905.24
    tetrabutyl urea 490.0
    diisobutyl methanol 717.56
    2-phenylethanol 1531.68
    styrene 1245.86
    dioctyl adipate 659.05
    dimethyl sulfate 494.95
    ethyl butyrate 1496.94
    methyl lactate 584.55
    butyl lactate 915.47
    diethyl carbonate 824.47
    propanediol butyl ether 1250.11
    triethyl orthoformate 893.3
    p-tert-butyltoluene 417.02
    methyl 4-tert-butylbenzoate 831.12
    morpholine 7607.55
    tert-butylamine 3789.3
    n-dodecanol 348.18
    dimethoxymethane 1980.31
    ethylene carbonate 1557.12
    cyrene 680.61
    2-ethoxyethyl acetate 1645.26
    2-ethylhexyl acetate 2001.81
    1,2,4-trichlorobenzene 1601.19
    4-methylpyridine 4309.6
    dibutyl ether 1319.47
    2,6-dimethyl-4-heptanol 717.56
    DEF 2537.07
    dimethyl isosorbide 1446.19
    tetrachloroethylene 2914.28
    eugenol 886.1
    triacetin 979.95
    span 80 1020.85
    1,4-butanediol 846.98
    1,1-dichloroethane 4507.97
    2-methyl-1-pentanol 2568.55
    methyl formate 937.51
    2-methyl-1-butanol 3585.29
    n-decane 91.36
    butyronitrile 3994.11
    3,7-dimethyl-1-octanol 1017.19
    1-chlorooctane 534.59
    1-chlorotetradecane 170.72
    n-nonane 85.47
    undecane 61.76
    tert-butylcyclohexane 229.96
    cyclooctane 156.95
    cyclopentanol 2596.5
    tetrahydropyran 7351.17
    tert-amyl methyl ether 2608.28
    2,5,8-trioxanonane 1714.67
    1-hexene 1829.76
    2-isopropoxyethanol 1667.77
    2,2,2-trifluoroethanol 456.67
    methyl butyrate 2195.84

    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