2-Isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate

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  • Identifiers

    CAS number
    67801-23-4

    Molecular formula
    C15H26O2

    SMILES
    C/C=C(\C)/C(=O)OC1CC(CCC1C(C)C)C

  • Odor profile

    Fragrance
    Herbal 77.9%
    Fruity 72.41%
    Floral 71.24%
    Mint 66.64%
    Sweet 64.73%
    Woody 47.63%
    Fresh 47.54%
    Rose 46.17%
    Cooling 39.01%
    Spicy 35.66%

     

    Flavor
    Herbal 55.53%
    Woody 40.0%
    Minty 33.72%
    Spicy 33.45%
    Floral 33.41%
    Fruity 30.2%
    Herb 29.25%
    Sweet 26.61%
    Mint 26.22%
    Tropical 24.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.05 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point

    • 112.34 ˚C est.

  • Synonyms

    • 2-Isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate
    • 67801-23-4
    • (5-methyl-2-propan-2-ylcyclohexyl) (E)-2-methylbut-2-enoate
    • EINECS 267-144-6
    • SCHEMBL19900165
    • HCXHHVYXOBMFPA-WUXMJOGZSA-N
    • 2-isopropyl-5-methylcyclohexyl (E)-2-methylbut-2-enoate
    • 267-144-6

  • Applications

    2-Isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate, CAS 67801-23-4, is primarily used as a fragrance ingredient and fixative in perfumery and cosmetics. It is also employed in household products as a fragrance component, and can function as a scent-release additive in coatings, inks, and polymeric materials. In polymer and plastics applications, it may serve as a fragrance-bearing monomer or co-monomer to impart aroma to the final product. Finally, it can act as an intermediate in the synthesis of other fragrance compounds or as a component in adhesive formulations where odor contribution is desired. Uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3137.65
    methanol 2241.48
    isopropanol 3093.11
    water 0.84
    ethyl acetate 3463.25
    n-propanol 2728.41
    acetone 3722.07
    n-butanol 2718.95
    acetonitrile 2571.72
    DMF 2612.09
    toluene 2087.66
    isobutanol 2449.05
    1,4-dioxane 4838.09
    methyl acetate 2358.48
    THF 5522.08
    2-butanone 3295.43
    n-pentanol 1631.73
    sec-butanol 2969.44
    n-hexane 857.43
    ethylene glycol 117.57
    NMP 2551.71
    cyclohexane 1855.26
    DMSO 1292.85
    n-butyl acetate 3476.01
    n-octanol 1019.34
    chloroform 7844.62
    n-propyl acetate 1921.23
    acetic acid 2057.8
    dichloromethane 5977.17
    cyclohexanone 5365.79
    propylene glycol 318.4
    isopropyl acetate 2577.71
    DMAc 2102.04
    2-ethoxyethanol 1281.81
    isopentanol 2709.14
    n-heptane 341.24
    ethyl formate 1559.89
    1,2-dichloroethane 4273.51
    n-hexanol 2477.19
    2-methoxyethanol 1881.72
    isobutyl acetate 1320.57
    tetrachloromethane 1498.5
    n-pentyl acetate 1833.6
    transcutol 4909.53
    n-heptanol 1055.26
    ethylbenzene 1141.76
    MIBK 1937.84
    2-propoxyethanol 2246.84
    tert-butanol 3456.21
    MTBE 4889.92
    2-butoxyethanol 1369.11
    propionic acid 1425.37
    o-xylene 1216.68
    formic acid 344.91
    diethyl ether 4442.15
    m-xylene 1339.13
    p-xylene 1661.47
    chlorobenzene 2854.29
    dimethyl carbonate 540.45
    n-octane 164.52
    formamide 593.98
    cyclopentanone 3837.46
    2-pentanone 3014.51
    anisole 1576.72
    cyclopentyl methyl ether 2874.17
    gamma-butyrolactone 3334.19
    1-methoxy-2-propanol 1676.33
    pyridine 3936.5
    3-pentanone 2062.53
    furfural 2370.76
    n-dodecane 116.74
    diethylene glycol 858.16
    diisopropyl ether 1591.17
    tert-amyl alcohol 3162.64
    acetylacetone 2316.12
    n-hexadecane 141.91
    acetophenone 1273.83
    methyl propionate 1754.16
    isopentyl acetate 3213.81
    trichloroethylene 7178.15
    n-nonanol 896.28
    cyclohexanol 3127.71
    benzyl alcohol 1081.51
    2-ethylhexanol 1391.28
    isooctanol 944.68
    dipropyl ether 1603.43
    1,2-dichlorobenzene 2177.33
    ethyl lactate 480.65
    propylene carbonate 2033.96
    n-methylformamide 1110.12
    2-pentanol 2371.06
    n-pentane 717.12
    1-propoxy-2-propanol 1813.24
    1-methoxy-2-propyl acetate 1906.55
    2-(2-methoxypropoxy) propanol 1048.18
    mesitylene 904.86
    ε-caprolactone 4138.84
    p-cymene 656.47
    epichlorohydrin 4283.78
    1,1,1-trichloroethane 5005.1
    2-aminoethanol 496.1
    morpholine-4-carbaldehyde 2492.1
    sulfolane 2449.16
    2,2,4-trimethylpentane 362.92
    2-methyltetrahydrofuran 5127.53
    n-hexyl acetate 2322.9
    isooctane 301.64
    2-(2-butoxyethoxy)ethanol 1554.23
    sec-butyl acetate 1559.63
    tert-butyl acetate 2204.64
    decalin 569.09
    glycerin 332.47
    diglyme 2743.12
    acrylic acid 943.05
    isopropyl myristate 750.57
    n-butyric acid 3009.61
    acetyl acetate 1828.32
    di(2-ethylhexyl) phthalate 611.37
    ethyl propionate 1495.64
    nitromethane 2515.24
    1,2-diethoxyethane 2769.84
    benzonitrile 1918.92
    trioctyl phosphate 450.28
    1-bromopropane 3189.53
    gamma-valerolactone 4369.79
    n-decanol 619.93
    triethyl phosphate 533.05
    4-methyl-2-pentanol 1300.91
    propionitrile 2230.78
    vinylene carbonate 1768.23
    1,1,2-trichlorotrifluoroethane 1860.56
    DMS 1196.87
    cumene 766.95
    2-octanol 871.71
    2-hexanone 1934.95
    octyl acetate 979.6
    limonene 1064.42
    1,2-dimethoxyethane 2761.3
    ethyl orthosilicate 580.76
    tributyl phosphate 582.76
    diacetone alcohol 1634.38
    N,N-dimethylaniline 953.64
    acrylonitrile 1809.02
    aniline 1880.06
    1,3-propanediol 1167.67
    bromobenzene 3193.26
    dibromomethane 4376.54
    1,1,2,2-tetrachloroethane 6046.17
    2-methyl-cyclohexyl acetate 1222.47
    tetrabutyl urea 653.92
    diisobutyl methanol 772.35
    2-phenylethanol 1388.67
    styrene 1332.08
    dioctyl adipate 876.82
    dimethyl sulfate 648.35
    ethyl butyrate 1683.51
    methyl lactate 508.3
    butyl lactate 984.94
    diethyl carbonate 957.28
    propanediol butyl ether 998.24
    triethyl orthoformate 1017.76
    p-tert-butyltoluene 629.0
    methyl 4-tert-butylbenzoate 1073.64
    morpholine 5402.69
    tert-butylamine 2591.91
    n-dodecanol 464.32
    dimethoxymethane 1600.76
    ethylene carbonate 1775.59
    cyrene 745.37
    2-ethoxyethyl acetate 1925.8
    2-ethylhexyl acetate 2389.97
    1,2,4-trichlorobenzene 2384.82
    4-methylpyridine 4330.31
    dibutyl ether 1636.81
    2,6-dimethyl-4-heptanol 772.35
    DEF 2736.49
    dimethyl isosorbide 1709.13
    tetrachloroethylene 3832.77
    eugenol 949.54
    triacetin 1221.36
    span 80 1067.03
    1,4-butanediol 399.2
    1,1-dichloroethane 5550.62
    2-methyl-1-pentanol 1730.22
    methyl formate 828.02
    2-methyl-1-butanol 2592.55
    n-decane 219.08
    butyronitrile 3128.13
    3,7-dimethyl-1-octanol 1090.53
    1-chlorooctane 914.48
    1-chlorotetradecane 327.58
    n-nonane 218.02
    undecane 152.77
    tert-butylcyclohexane 458.62
    cyclooctane 484.38
    cyclopentanol 2285.05
    tetrahydropyran 6849.68
    tert-amyl methyl ether 2650.38
    2,5,8-trioxanonane 1507.45
    1-hexene 1952.75
    2-isopropoxyethanol 1088.94
    2,2,2-trifluoroethanol 549.97
    methyl butyrate 2131.58

    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