m-Cresyl hexanoate

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  • Identifiers

    CAS number
    68140-55-6

    Molecular formula
    C13H18O2

    SMILES
    CCCCCC(=O)OC1=CC=CC(=C1)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 71.27%
    Animal 60.47%
    Fruity 44.61%
    Herbal 41.62%
    Honey 38.8%
    Phenolic 35.73%
    Sweet 32.4%
    Tobacco 30.68%
    Balsamic 30.34%
    Aromatic 30.17%

     

    Flavor
    Woody 43.1%
    Herbal 41.89%
    Sweet 39.41%
    Waxy 29.42%
    Spicy 27.7%
    Oily 27.59%
    Floral 26.17%
    Fruity 25.99%
    Animal 25.51%
    Warm 25.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.31 (weak base)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point

    • 120.66 ˚C est.

  • Synonyms

    • 3-Methylphenyl hexanoate
    • m-Cresyl hexanoate
    • m-Cresyl caproate
    • Hexanoic acid, 3-methylphenyl ester
    • GHC5LU9ADP
    • UNII-GHC5LU9ADP
    • EINECS 268-806-7
    • DTXSID0071172
    • RefChem:154869
    • DTXCID7045607
    • 68140-55-6
    • (3-methylphenyl) hexanoate
    • HEXANOIC ACID 3-METHYLPHENYL ESTER
    • meta-cresyl hexanoate
    • 3-methylphenyl caproate
    • orb1985985
    • KFAYELJEHIGXQO-UHFFFAOYSA-N
    • SBB060839
    • AKOS017059683
    • NS00036441
    • ST51046941
    • 68140-55-6

  • Applications

    m-Cresyl hexanoate is primarily used in perfumery as an odorant and fixative to help stabilize and extend scent notes. It is commonly evaluated for use in cosmetics and personal care products as a fragrance ingredient. In household products, it serves as a fragrance additive in cleaners, detergents, and air fresheners. It can function as an intermediate in the synthesis of fragrance compounds and related esters. In coatings and inks, it may be used as a fragrance component to impart or modulate odor during product use. It may also be employed in industrial manufacturing formulations as a scent additive under applicable regulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7026.16
    methanol 9044.15
    isopropanol 3584.97
    water 0.4
    ethyl acetate 4387.59
    n-propanol 4107.65
    acetone 7785.21
    n-butanol 3447.81
    acetonitrile 5397.65
    DMF 7344.16
    toluene 1052.96
    isobutanol 2592.75
    1,4-dioxane 4563.66
    methyl acetate 2825.49
    THF 5623.3
    2-butanone 3813.11
    n-pentanol 1788.34
    sec-butanol 2497.17
    n-hexane 172.43
    ethylene glycol 537.21
    NMP 3461.88
    cyclohexane 310.46
    DMSO 6473.74
    n-butyl acetate 2359.12
    n-octanol 442.18
    chloroform 5893.93
    n-propyl acetate 1590.02
    acetic acid 3299.31
    dichloromethane 6524.84
    cyclohexanone 4863.52
    propylene glycol 883.29
    isopropyl acetate 2194.07
    DMAc 3462.87
    2-ethoxyethanol 1882.24
    isopentanol 2326.04
    n-heptane 63.61
    ethyl formate 2072.22
    1,2-dichloroethane 5177.76
    n-hexanol 1611.35
    2-methoxyethanol 4468.35
    isobutyl acetate 889.96
    tetrachloromethane 357.49
    n-pentyl acetate 809.91
    transcutol 6086.73
    n-heptanol 418.58
    ethylbenzene 431.85
    MIBK 1498.72
    2-propoxyethanol 2496.48
    tert-butanol 2768.96
    MTBE 2482.98
    2-butoxyethanol 861.99
    propionic acid 1924.7
    o-xylene 430.76
    formic acid 794.32
    diethyl ether 3706.74
    m-xylene 563.51
    p-xylene 568.54
    chlorobenzene 1801.82
    dimethyl carbonate 963.93
    n-octane 29.67
    formamide 1707.64
    cyclopentanone 4445.55
    2-pentanone 3552.31
    anisole 1195.66
    cyclopentyl methyl ether 2327.56
    gamma-butyrolactone 3993.24
    1-methoxy-2-propanol 2875.97
    pyridine 3894.2
    3-pentanone 1895.35
    furfural 2670.46
    n-dodecane 32.09
    diethylene glycol 1559.6
    diisopropyl ether 684.26
    tert-amyl alcohol 1888.55
    acetylacetone 3092.79
    n-hexadecane 38.35
    acetophenone 959.99
    methyl propionate 2591.64
    isopentyl acetate 1749.55
    trichloroethylene 7668.54
    n-nonanol 379.04
    cyclohexanol 2172.26
    benzyl alcohol 955.27
    2-ethylhexanol 729.58
    isooctanol 334.29
    dipropyl ether 905.21
    1,2-dichlorobenzene 1291.49
    ethyl lactate 492.36
    propylene carbonate 2076.78
    n-methylformamide 3087.95
    2-pentanol 1810.78
    n-pentane 137.62
    1-propoxy-2-propanol 1484.38
    1-methoxy-2-propyl acetate 1670.42
    2-(2-methoxypropoxy) propanol 850.32
    mesitylene 297.72
    ε-caprolactone 3056.64
    p-cymene 213.22
    epichlorohydrin 5690.41
    1,1,1-trichloroethane 2857.91
    2-aminoethanol 1510.91
    morpholine-4-carbaldehyde 3220.55
    sulfolane 3764.81
    2,2,4-trimethylpentane 68.34
    2-methyltetrahydrofuran 4225.98
    n-hexyl acetate 1205.83
    isooctane 58.42
    2-(2-butoxyethoxy)ethanol 1358.91
    sec-butyl acetate 970.46
    tert-butyl acetate 1697.84
    decalin 126.24
    glycerin 858.47
    diglyme 2506.3
    acrylic acid 1393.33
    isopropyl myristate 385.15
    n-butyric acid 3601.62
    acetyl acetate 1866.61
    di(2-ethylhexyl) phthalate 355.54
    ethyl propionate 1359.77
    nitromethane 5567.9
    1,2-diethoxyethane 2123.83
    benzonitrile 1366.05
    trioctyl phosphate 248.91
    1-bromopropane 2568.17
    gamma-valerolactone 4945.89
    n-decanol 270.54
    triethyl phosphate 343.93
    4-methyl-2-pentanol 680.82
    propionitrile 2713.98
    vinylene carbonate 1834.73
    1,1,2-trichlorotrifluoroethane 2313.22
    DMS 1045.31
    cumene 266.23
    2-octanol 285.34
    2-hexanone 1722.12
    octyl acetate 527.86
    limonene 398.97
    1,2-dimethoxyethane 3461.11
    ethyl orthosilicate 330.61
    tributyl phosphate 372.04
    diacetone alcohol 1564.47
    N,N-dimethylaniline 601.14
    acrylonitrile 2936.97
    aniline 1460.38
    1,3-propanediol 2258.04
    bromobenzene 1952.53
    dibromomethane 4101.24
    1,1,2,2-tetrachloroethane 5624.43
    2-methyl-cyclohexyl acetate 687.86
    tetrabutyl urea 466.68
    diisobutyl methanol 329.3
    2-phenylethanol 922.06
    styrene 735.72
    dioctyl adipate 582.14
    dimethyl sulfate 1126.87
    ethyl butyrate 1132.3
    methyl lactate 855.74
    butyl lactate 593.81
    diethyl carbonate 663.42
    propanediol butyl ether 806.48
    triethyl orthoformate 592.05
    p-tert-butyltoluene 198.98
    methyl 4-tert-butylbenzoate 603.75
    morpholine 6449.02
    tert-butylamine 1529.49
    n-dodecanol 204.31
    dimethoxymethane 3920.4
    ethylene carbonate 1708.56
    cyrene 630.53
    2-ethoxyethyl acetate 1255.34
    2-ethylhexyl acetate 1159.25
    1,2,4-trichlorobenzene 1377.99
    4-methylpyridine 3724.96
    dibutyl ether 830.33
    2,6-dimethyl-4-heptanol 329.3
    DEF 3559.98
    dimethyl isosorbide 1295.92
    tetrachloroethylene 2943.28
    eugenol 670.34
    triacetin 882.87
    span 80 714.99
    1,4-butanediol 673.64
    1,1-dichloroethane 4373.29
    2-methyl-1-pentanol 1343.36
    methyl formate 1988.86
    2-methyl-1-butanol 2109.03
    n-decane 51.12
    butyronitrile 3439.37
    3,7-dimethyl-1-octanol 493.31
    1-chlorooctane 335.83
    1-chlorotetradecane 125.2
    n-nonane 47.62
    undecane 39.29
    tert-butylcyclohexane 107.43
    cyclooctane 60.37
    cyclopentanol 1967.56
    tetrahydropyran 5602.14
    tert-amyl methyl ether 1315.23
    2,5,8-trioxanonane 1511.63
    1-hexene 994.62
    2-isopropoxyethanol 1131.16
    2,2,2-trifluoroethanol 603.63
    methyl butyrate 2029.55

    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