Octadecanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester

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  • Identifiers

    CAS number
    93919-01-8

    Molecular formula
    C28H54O2

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC1CC(CCC1C(C)C)C

  • Odor profile

    Fragrance
    Waxy 70.9%
    Fatty 50.29%
    Oily 47.5%
    Odorless 29.21%
    Floral 28.29%
    Balsamic 27.78%
    Woody 27.37%
    Creamy 25.3%
    Milky 24.7%
    Sweet 22.21%

     

    Flavor
    Waxy 44.71%
    Fatty 42.03%
    Oily 39.83%
    Mild 36.99%
    Bland 31.04%
    Fat 28.24%
    Faint 28.22%
    Slightly waxy 24.45%
    Odorless 23.22%
    Bay oil 22.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.0

    pKa est.
    6.97 (neutral)

    Molecular weight
    422.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    454°C

    Flash point

    • 187.56 ˚C est.

  • Synonyms

    • 2-Isopropyl-5-methylcyclohexyl stearate
    • 93919-01-8
    • EINECS 299-983-9
    • Octadecanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
    • menthyl stearate
    • (5-methyl-2-propan-2-ylcyclohexyl) octadecanoate
    • SCHEMBL1682252
    • DTXSID50869149
    • UFFYOHVNDSTCTL-UHFFFAOYSA-N
    • AT40271
    • NS00063964
    • 5-Methyl-2-(propan-2-yl)cyclohexyl octadecanoate

  • Applications

    Octadecanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, CAS number: 93919-01-8 is a long-chain fatty acid ester whose real-world applications include as an emollient/conditioning agent in cosmetics and personal care formulations; as a plasticizer or processing aid for polymers and coatings; as a wax-like slip and gloss modifier in coatings, inks, and polishes; and as a lubricant additive for industrial and metalworking fluids.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 249.29
    methanol 209.08
    isopropanol 299.29
    water 1.47
    ethyl acetate 1543.72
    n-propanol 366.69
    acetone 932.91
    n-butanol 416.06
    acetonitrile 367.65
    DMF 816.88
    toluene 711.91
    isobutanol 396.96
    1,4-dioxane 1404.86
    methyl acetate 857.08
    THF 2832.02
    2-butanone 1140.11
    n-pentanol 289.45
    sec-butanol 466.97
    n-hexane 236.59
    ethylene glycol 15.24
    NMP 2246.32
    cyclohexane 1147.19
    DMSO 736.61
    n-butyl acetate 1475.74
    n-octanol 420.96
    chloroform 3269.94
    n-propyl acetate 1398.18
    acetic acid 514.29
    dichloromethane 3551.19
    cyclohexanone 3427.49
    propylene glycol 45.17
    isopropyl acetate 1344.97
    DMAc 1524.81
    2-ethoxyethanol 414.53
    isopentanol 512.62
    n-heptane 214.53
    ethyl formate 559.56
    1,2-dichloroethane 2205.35
    n-hexanol 282.24
    2-methoxyethanol 449.43
    isobutyl acetate 984.86
    tetrachloromethane 1106.8
    n-pentyl acetate 2402.33
    transcutol 2009.01
    n-heptanol 411.49
    ethylbenzene 445.1
    MIBK 1086.01
    2-propoxyethanol 487.08
    tert-butanol 479.24
    MTBE 951.03
    2-butoxyethanol 792.47
    propionic acid 526.72
    o-xylene 613.3
    formic acid 87.1
    diethyl ether 913.16
    m-xylene 515.37
    p-xylene 736.24
    chlorobenzene 1246.86
    dimethyl carbonate 305.94
    n-octane 117.86
    formamide 180.19
    cyclopentanone 2702.95
    2-pentanone 1241.5
    anisole 682.43
    cyclopentyl methyl ether 1920.44
    gamma-butyrolactone 2604.24
    1-methoxy-2-propanol 502.59
    pyridine 1549.09
    3-pentanone 1112.8
    furfural 1447.83
    n-dodecane 52.6
    diethylene glycol 153.86
    diisopropyl ether 484.2
    tert-amyl alcohol 617.79
    acetylacetone 1460.21
    n-hexadecane 65.93
    acetophenone 912.0
    methyl propionate 972.8
    isopentyl acetate 1465.17
    trichloroethylene 3359.68
    n-nonanol 430.06
    cyclohexanol 1135.66
    benzyl alcohol 396.88
    2-ethylhexanol 398.93
    isooctanol 466.79
    dipropyl ether 851.19
    1,2-dichlorobenzene 1320.4
    ethyl lactate 381.52
    propylene carbonate 1610.82
    n-methylformamide 376.47
    2-pentanol 413.24
    n-pentane 191.16
    1-propoxy-2-propanol 618.35
    1-methoxy-2-propyl acetate 1108.55
    2-(2-methoxypropoxy) propanol 501.01
    mesitylene 417.09
    ε-caprolactone 3243.38
    p-cymene 356.28
    epichlorohydrin 2458.81
    1,1,1-trichloroethane 2953.21
    2-aminoethanol 74.87
    morpholine-4-carbaldehyde 1488.39
    sulfolane 2940.22
    2,2,4-trimethylpentane 148.44
    2-methyltetrahydrofuran 2663.2
    n-hexyl acetate 1963.24
    isooctane 82.32
    2-(2-butoxyethoxy)ethanol 742.85
    sec-butyl acetate 1163.07
    tert-butyl acetate 1574.12
    decalin 292.96
    glycerin 67.17
    diglyme 1915.94
    acrylic acid 314.88
    isopropyl myristate 564.13
    n-butyric acid 1273.89
    acetyl acetate 958.1
    di(2-ethylhexyl) phthalate 387.75
    ethyl propionate 1203.22
    nitromethane 963.33
    1,2-diethoxyethane 1371.34
    benzonitrile 693.97
    trioctyl phosphate 328.12
    1-bromopropane 1455.48
    gamma-valerolactone 3354.44
    n-decanol 253.94
    triethyl phosphate 560.11
    4-methyl-2-pentanol 319.49
    propionitrile 476.84
    vinylene carbonate 1204.12
    1,1,2-trichlorotrifluoroethane 1120.77
    DMS 836.05
    cumene 326.81
    2-octanol 445.66
    2-hexanone 1042.99
    octyl acetate 699.84
    limonene 699.08
    1,2-dimethoxyethane 1116.07
    ethyl orthosilicate 583.54
    tributyl phosphate 425.04
    diacetone alcohol 967.11
    N,N-dimethylaniline 484.73
    acrylonitrile 403.61
    aniline 629.35
    1,3-propanediol 203.48
    bromobenzene 1493.11
    dibromomethane 2306.61
    1,1,2,2-tetrachloroethane 3004.59
    2-methyl-cyclohexyl acetate 992.53
    tetrabutyl urea 603.72
    diisobutyl methanol 310.93
    2-phenylethanol 375.46
    styrene 531.14
    dioctyl adipate 800.49
    dimethyl sulfate 570.55
    ethyl butyrate 1322.33
    methyl lactate 284.13
    butyl lactate 1038.71
    diethyl carbonate 708.63
    propanediol butyl ether 467.86
    triethyl orthoformate 950.68
    p-tert-butyltoluene 322.44
    methyl 4-tert-butylbenzoate 1036.13
    morpholine 1678.44
    tert-butylamine 381.78
    n-dodecanol 171.12
    dimethoxymethane 647.98
    ethylene carbonate 1318.53
    cyrene 515.36
    2-ethoxyethyl acetate 1892.03
    2-ethylhexyl acetate 1291.32
    1,2,4-trichlorobenzene 1518.53
    4-methylpyridine 1596.77
    dibutyl ether 1118.78
    2,6-dimethyl-4-heptanol 310.93
    DEF 1493.06
    dimethyl isosorbide 1152.39
    tetrachloroethylene 2108.18
    eugenol 671.64
    triacetin 1460.25
    span 80 604.82
    1,4-butanediol 81.84
    1,1-dichloroethane 2077.56
    2-methyl-1-pentanol 374.69
    methyl formate 285.99
    2-methyl-1-butanol 495.43
    n-decane 136.04
    butyronitrile 631.55
    3,7-dimethyl-1-octanol 435.01
    1-chlorooctane 597.81
    1-chlorotetradecane 159.65
    n-nonane 136.02
    undecane 77.08
    tert-butylcyclohexane 189.58
    cyclooctane 296.78
    cyclopentanol 990.34
    tetrahydropyran 2670.01
    tert-amyl methyl ether 900.13
    2,5,8-trioxanonane 889.64
    1-hexene 457.05
    2-isopropoxyethanol 428.51
    2,2,2-trifluoroethanol 262.24
    methyl butyrate 1585.43

    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