Cyclohexanecarboxylic acid, 1,4-dimethyl-, methyl ester, trans-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    23059-38-3

    Molecular formula
    C10H18O2

    SMILES
    CC1CCC(CC1)(C)C(=O)OC

  • Odor profile

    Fragrance
    Fruity 69.71%
    Herbal 63.21%
    Sweet 54.83%
    Floral 48.21%
    Mint 43.3%
    Fresh 43.1%
    Woody 38.97%
    Camphoreous 31.33%
    Green 30.2%
    Natural 29.78%

     

    Flavor
    Fruity 73.81%
    Fruit 38.32%
    Herbal 37.84%
    Sweet 37.52%
    Green 32.23%
    Berry 30.01%
    Earthy 28.71%
    Pineapple 28.31%
    Musty 28.01%
    Tropical 26.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.13 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 84.28 ˚C est.

  • Synonyms

    • 23059-38-3
    • Cyclohexanecarboxylic acid, 1,4-dimethyl-, methyl ester, trans-
    • methyl 1,4-dimethylcyclohexane-1-carboxylate
    • 23250-42-2
    • Cyclohexanecarboxylic acid, 1,4-dimethyl-, methyl ester, cis-
    • SCHEMBL622852
    • 1,4-Dimethyl-cyclohexanecarboxylic acid methyl ester
    • SCHEMBL1472063
    • DTXSID10885229
    • DTXSID30865083
    • DTXSID80885231
    • YLQLGTFGVSLQJL-CZMCAQCFSA-N
    • YLQLGTFGVSLQJL-UHFFFAOYSA-N
    • YLQLGTFGVSLQJL-WAAGHKOSSA-N
    • 276244-26-9
    • trans-carbomethoxy-1,4-dimethylcyclohexane
    • cis-1-carbomethoxy-1,4-dimethylcyclohexane
    • NS00020492

  • Applications

    CAS 23059-38-3, Cyclohexanecarboxylic acid, 1,4-dimethyl-, methyl ester, trans-, finds use across industries as an organic synthesis intermediate; it can serve as a solvent or processing aid in plastics, coatings, and adhesives; it may function as a fragrance intermediate or building block for aroma compounds in the perfumery and cosmetics sector; it can be used as a solvent or diluent in cleaning formulations; and it may act as a precursor in pharmaceutical synthesis, with applications governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2065.34
    methanol 2080.34
    isopropanol 2190.5
    water 4.21
    ethyl acetate 2649.38
    n-propanol 1831.06
    acetone 2449.26
    n-butanol 1615.54
    acetonitrile 2609.34
    DMF 2122.21
    toluene 964.04
    isobutanol 1551.35
    1,4-dioxane 3180.75
    methyl acetate 2271.31
    THF 2992.96
    2-butanone 2043.84
    n-pentanol 802.43
    sec-butanol 1496.57
    n-hexane 105.89
    ethylene glycol 235.62
    NMP 1128.1
    cyclohexane 292.59
    DMSO 860.0
    n-butyl acetate 1238.96
    n-octanol 441.17
    chloroform 5447.05
    n-propyl acetate 1102.82
    acetic acid 1759.47
    dichloromethane 3872.01
    cyclohexanone 2403.47
    propylene glycol 370.21
    isopropyl acetate 1600.35
    DMAc 1258.64
    2-ethoxyethanol 1127.33
    isopentanol 1395.78
    n-heptane 53.12
    ethyl formate 1559.52
    1,2-dichloroethane 2472.41
    n-hexanol 958.27
    2-methoxyethanol 1901.39
    isobutyl acetate 728.59
    tetrachloromethane 992.87
    n-pentyl acetate 724.27
    transcutol 2794.36
    n-heptanol 496.74
    ethylbenzene 493.36
    MIBK 1029.2
    2-propoxyethanol 1395.16
    tert-butanol 2458.25
    MTBE 2344.89
    2-butoxyethanol 864.85
    propionic acid 1380.21
    o-xylene 613.03
    formic acid 559.54
    diethyl ether 2007.59
    m-xylene 657.82
    p-xylene 695.16
    chlorobenzene 1356.93
    dimethyl carbonate 526.44
    n-octane 33.58
    formamide 957.14
    cyclopentanone 2293.68
    2-pentanone 1590.63
    anisole 970.86
    cyclopentyl methyl ether 1287.75
    gamma-butyrolactone 2538.05
    1-methoxy-2-propanol 1418.81
    pyridine 2338.6
    3-pentanone 1127.79
    furfural 2000.04
    n-dodecane 29.0
    diethylene glycol 787.07
    diisopropyl ether 547.19
    tert-amyl alcohol 1683.92
    acetylacetone 1550.66
    n-hexadecane 35.03
    acetophenone 781.54
    methyl propionate 1371.73
    isopentyl acetate 1170.54
    trichloroethylene 4572.2
    n-nonanol 372.38
    cyclohexanol 1251.68
    benzyl alcohol 740.9
    2-ethylhexanol 485.98
    isooctanol 427.14
    dipropyl ether 484.91
    1,2-dichlorobenzene 1119.71
    ethyl lactate 373.03
    propylene carbonate 1440.22
    n-methylformamide 1471.74
    2-pentanol 1082.36
    n-pentane 133.88
    1-propoxy-2-propanol 940.08
    1-methoxy-2-propyl acetate 1045.47
    2-(2-methoxypropoxy) propanol 588.23
    mesitylene 453.43
    ε-caprolactone 2005.35
    p-cymene 261.32
    epichlorohydrin 2920.2
    1,1,1-trichloroethane 3252.16
    2-aminoethanol 668.53
    morpholine-4-carbaldehyde 1749.28
    sulfolane 1618.57
    2,2,4-trimethylpentane 93.67
    2-methyltetrahydrofuran 2131.6
    n-hexyl acetate 978.63
    isooctane 88.87
    2-(2-butoxyethoxy)ethanol 885.72
    sec-butyl acetate 872.67
    tert-butyl acetate 1411.39
    decalin 121.37
    glycerin 450.26
    diglyme 1694.86
    acrylic acid 1043.7
    isopropyl myristate 307.79
    n-butyric acid 2269.66
    acetyl acetate 1354.78
    di(2-ethylhexyl) phthalate 275.15
    ethyl propionate 937.23
    nitromethane 3001.56
    1,2-diethoxyethane 1118.47
    benzonitrile 1203.97
    trioctyl phosphate 196.0
    1-bromopropane 1382.7
    gamma-valerolactone 2882.05
    n-decanol 242.78
    triethyl phosphate 265.13
    4-methyl-2-pentanol 661.21
    propionitrile 2136.74
    vinylene carbonate 1476.87
    1,1,2-trichlorotrifluoroethane 1450.07
    DMS 713.56
    cumene 335.91
    2-octanol 360.04
    2-hexanone 962.95
    octyl acetate 391.64
    limonene 352.68
    1,2-dimethoxyethane 1880.97
    ethyl orthosilicate 270.6
    tributyl phosphate 253.86
    diacetone alcohol 1146.11
    N,N-dimethylaniline 504.46
    acrylonitrile 2216.11
    aniline 1173.23
    1,3-propanediol 1167.73
    bromobenzene 1430.36
    dibromomethane 2385.4
    1,1,2,2-tetrachloroethane 3544.57
    2-methyl-cyclohexyl acetate 507.11
    tetrabutyl urea 268.88
    diisobutyl methanol 311.93
    2-phenylethanol 720.82
    styrene 619.41
    dioctyl adipate 379.1
    dimethyl sulfate 613.83
    ethyl butyrate 749.71
    methyl lactate 469.42
    butyl lactate 469.01
    diethyl carbonate 498.66
    propanediol butyl ether 629.48
    triethyl orthoformate 465.36
    p-tert-butyltoluene 278.2
    methyl 4-tert-butylbenzoate 618.39
    morpholine 3213.46
    tert-butylamine 1529.42
    n-dodecanol 166.33
    dimethoxymethane 1281.49
    ethylene carbonate 1320.81
    cyrene 490.43
    2-ethoxyethyl acetate 908.36
    2-ethylhexyl acetate 770.7
    1,2,4-trichlorobenzene 1234.09
    4-methylpyridine 2218.55
    dibutyl ether 465.54
    2,6-dimethyl-4-heptanol 311.93
    DEF 1458.27
    dimethyl isosorbide 913.14
    tetrachloroethylene 2471.99
    eugenol 565.35
    triacetin 667.39
    span 80 510.59
    1,4-butanediol 389.56
    1,1-dichloroethane 3359.92
    2-methyl-1-pentanol 759.86
    methyl formate 1163.35
    2-methyl-1-butanol 1210.01
    n-decane 55.79
    butyronitrile 2129.46
    3,7-dimethyl-1-octanol 433.22
    1-chlorooctane 288.71
    1-chlorotetradecane 96.62
    n-nonane 50.15
    undecane 38.66
    tert-butylcyclohexane 115.65
    cyclooctane 78.86
    cyclopentanol 1271.66
    tetrahydropyran 2670.93
    tert-amyl methyl ether 1153.84
    2,5,8-trioxanonane 887.72
    1-hexene 457.62
    2-isopropoxyethanol 821.99
    2,2,2-trifluoroethanol 656.95
    methyl butyrate 1257.17

    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