5-Methyl-2-(propan-2-yl)cyclohexyl 2-hydroxybenzoate

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  • Identifiers

    CAS number
    89-46-3

    Molecular formula
    C17H24O3

    SMILES
    CC1CCC(C(C1)OC(=O)C2=CC=CC=C2O)C(C)C

  • Odor profile

    Fragrance
    Herbal 62.17%
    Balsamic 51.05%
    Mint 49.86%
    Sweet 37.47%
    Woody 36.53%
    Cooling 35.44%
    Fresh 34.26%
    Odorless 33.35%
    Green 32.93%
    Spicy 32.43%

     

    Flavor
    Herbal 54.15%
    Bitter 47.33%
    Woody 34.04%
    Minty 25.78%
    Spicy 24.61%
    Spice 22.61%
    Herb 22.4%
    Warm 21.65%
    Cedarleaf 21.6%
    Lovage 21.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.8 (neutral)

    Molecular weight
    276.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point

    • 148.36 ˚C est.

  • Synonyms

    • MENTHYL SALICYLATE
    • 89-46-3
    • 109423-22-5
    • (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxybenzoate
    • 5-methyl-2-(propan-2-yl)cyclohexyl 2-hydroxybenzoate
    • Contrasol; Salimenthol; Samol
    • DTXSID70858853
    • Benzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1.alpha.,2.beta.,5.alpha.)-
    • menthylsalicylat
    • NCGC00181042-01
    • MFCD00042623
    • SCHEMBL17780
    • CHEMBL1905909
    • DTXCID6026822
    • NSC3725
    • NSC-3725
    • NCGC00181042-02
    • 2-Isopropyl-5-methylcyclohexyl salicylate #
    • NS00013846
    • SBI-0654016.0001
    • SR-01000944490
    • SR-01000944490-1

  • Applications

    5-Methyl-2-(propan-2-yl)cyclohexyl 2-hydroxybenzoate, CAS 89-46-3, is a bulky cyclohexyl salicylate ester that is commonly used as a fragrance ingredient and odorant in perfumery and cosmetics. It often functions as a fixative to extend fragrance duration due to its relatively low volatility. In cosmetics and personal care products it can be formulated into lotions, creams, shampoos and bath products to contribute fragrance. It is also used in household products such as air fresheners and detergents to provide a pleasant scent, and in coatings and inks as a fragrance additive for consumer applications. In industrial manufacturing it may serve as an intermediate in fragrance synthesis or formulation, subject to local regulations and formulation compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2255.06
    methanol 1789.59
    isopropanol 1777.66
    water 0.16
    ethyl acetate 1887.5
    n-propanol 1874.2
    acetone 2671.17
    n-butanol 1525.45
    acetonitrile 1168.52
    DMF 2145.48
    toluene 695.07
    isobutanol 1236.14
    1,4-dioxane 2252.13
    methyl acetate 1414.35
    THF 3474.05
    2-butanone 2043.02
    n-pentanol 600.21
    sec-butanol 1189.37
    n-hexane 52.74
    ethylene glycol 93.89
    NMP 1425.31
    cyclohexane 158.3
    DMSO 2123.57
    n-butyl acetate 916.25
    n-octanol 175.71
    chloroform 2242.46
    n-propyl acetate 628.23
    acetic acid 834.5
    dichloromethane 2189.88
    cyclohexanone 2257.88
    propylene glycol 304.45
    isopropyl acetate 1028.92
    DMAc 1292.71
    2-ethoxyethanol 720.03
    isopentanol 1080.15
    n-heptane 22.39
    ethyl formate 646.86
    1,2-dichloroethane 2230.69
    n-hexanol 741.2
    2-methoxyethanol 1899.7
    isobutyl acetate 384.25
    tetrachloromethane 203.78
    n-pentyl acetate 415.49
    transcutol 2863.9
    n-heptanol 221.36
    ethylbenzene 207.42
    MIBK 815.66
    2-propoxyethanol 1222.46
    tert-butanol 1492.02
    MTBE 1447.99
    2-butoxyethanol 484.81
    propionic acid 722.78
    o-xylene 292.68
    formic acid 181.24
    diethyl ether 1916.2
    m-xylene 385.08
    p-xylene 290.71
    chlorobenzene 933.75
    dimethyl carbonate 382.96
    n-octane 11.08
    formamide 502.72
    cyclopentanone 2554.11
    2-pentanone 1728.66
    anisole 487.56
    cyclopentyl methyl ether 1405.55
    gamma-butyrolactone 2195.29
    1-methoxy-2-propanol 1445.73
    pyridine 1699.35
    3-pentanone 1038.02
    furfural 1159.29
    n-dodecane 10.47
    diethylene glycol 663.32
    diisopropyl ether 415.22
    tert-amyl alcohol 999.33
    acetylacetone 1346.43
    n-hexadecane 13.0
    acetophenone 396.84
    methyl propionate 1233.4
    isopentyl acetate 780.81
    trichloroethylene 3054.61
    n-nonanol 164.86
    cyclohexanol 1211.25
    benzyl alcohol 393.74
    2-ethylhexanol 299.0
    isooctanol 185.24
    dipropyl ether 388.91
    1,2-dichlorobenzene 581.92
    ethyl lactate 227.44
    propylene carbonate 945.1
    n-methylformamide 1010.03
    2-pentanol 947.91
    n-pentane 67.14
    1-propoxy-2-propanol 784.05
    1-methoxy-2-propyl acetate 853.92
    2-(2-methoxypropoxy) propanol 422.07
    mesitylene 215.0
    ε-caprolactone 1553.89
    p-cymene 114.82
    epichlorohydrin 3031.06
    1,1,1-trichloroethane 1504.65
    2-aminoethanol 448.5
    morpholine-4-carbaldehyde 1389.23
    sulfolane 1802.97
    2,2,4-trimethylpentane 38.12
    2-methyltetrahydrofuran 2459.55
    n-hexyl acetate 531.37
    isooctane 36.16
    2-(2-butoxyethoxy)ethanol 732.59
    sec-butyl acetate 442.42
    tert-butyl acetate 962.01
    decalin 50.88
    glycerin 321.02
    diglyme 1272.7
    acrylic acid 458.86
    isopropyl myristate 183.22
    n-butyric acid 1285.4
    acetyl acetate 682.58
    di(2-ethylhexyl) phthalate 161.22
    ethyl propionate 518.49
    nitromethane 1563.04
    1,2-diethoxyethane 1005.08
    benzonitrile 558.29
    trioctyl phosphate 121.69
    1-bromopropane 1204.81
    gamma-valerolactone 2588.43
    n-decanol 120.72
    triethyl phosphate 157.25
    4-methyl-2-pentanol 413.93
    propionitrile 936.17
    vinylene carbonate 716.05
    1,1,2-trichlorotrifluoroethane 1033.73
    DMS 453.36
    cumene 130.33
    2-octanol 146.26
    2-hexanone 671.28
    octyl acetate 235.67
    limonene 199.58
    1,2-dimethoxyethane 1190.5
    ethyl orthosilicate 158.36
    tributyl phosphate 166.01
    diacetone alcohol 949.5
    N,N-dimethylaniline 247.0
    acrylonitrile 915.08
    aniline 876.27
    1,3-propanediol 940.37
    bromobenzene 930.42
    dibromomethane 1525.66
    1,1,2,2-tetrachloroethane 2412.61
    2-methyl-cyclohexyl acetate 319.19
    tetrabutyl urea 186.77
    diisobutyl methanol 168.59
    2-phenylethanol 448.23
    styrene 295.04
    dioctyl adipate 254.12
    dimethyl sulfate 481.24
    ethyl butyrate 433.6
    methyl lactate 427.33
    butyl lactate 316.35
    diethyl carbonate 253.17
    propanediol butyl ether 417.72
    triethyl orthoformate 271.38
    p-tert-butyltoluene 119.52
    methyl 4-tert-butylbenzoate 337.23
    morpholine 3173.19
    tert-butylamine 822.16
    n-dodecanol 89.96
    dimethoxymethane 1628.98
    ethylene carbonate 721.35
    cyrene 333.43
    2-ethoxyethyl acetate 642.62
    2-ethylhexyl acetate 548.23
    1,2,4-trichlorobenzene 692.12
    4-methylpyridine 1759.6
    dibutyl ether 285.17
    2,6-dimethyl-4-heptanol 168.59
    DEF 1341.71
    dimethyl isosorbide 721.96
    tetrachloroethylene 1148.76
    eugenol 317.41
    triacetin 392.77
    span 80 364.26
    1,4-butanediol 198.94
    1,1-dichloroethane 2243.34
    2-methyl-1-pentanol 502.15
    methyl formate 624.15
    2-methyl-1-butanol 995.86
    n-decane 17.4
    butyronitrile 1066.32
    3,7-dimethyl-1-octanol 224.99
    1-chlorooctane 133.84
    1-chlorotetradecane 48.95
    n-nonane 15.64
    undecane 13.16
    tert-butylcyclohexane 42.53
    cyclooctane 36.39
    cyclopentanol 1186.69
    tetrahydropyran 3065.74
    tert-amyl methyl ether 729.46
    2,5,8-trioxanonane 743.25
    1-hexene 258.02
    2-isopropoxyethanol 506.28
    2,2,2-trifluoroethanol 219.65
    methyl butyrate 701.87

    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