p-Cresyl octanoate

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  • Identifiers

    CAS number
    59558-23-5

    Molecular formula
    C15H22O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 83.28%
    Herbal 50.92%
    Animal 50.23%
    Green 45.03%
    Sweet 40.49%
    Balsamic 39.87%
    Waxy 39.44%
    Oily 36.48%
    Honey 35.7%
    Rose 34.49%

     

    Flavor
    Herbal 47.04%
    Woody 43.98%
    Waxy 38.91%
    Sweet 37.87%
    Oily 35.57%
    Spicy 29.89%
    Fatty 28.66%
    Floral 28.6%
    Coconut 27.85%
    Balsam 27.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.71 (weak base)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point

    • 140.77 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • 59558-23-5
    • p-Tolyl octanoate
    • n-Octanoic acid p-tolyl ester
    • p-Cresyl octanoate
    • p-Tolyl n-octanoate
    • p-Cresyl caprylate
    • 4-Methylphenyl octanoate
    • (4-methylphenyl) octanoate
    • Narcissin K
    • Octanoic acid, 4-methylphenyl ester
    • OCTANOIC ACID, p-TOLYL ESTER
    • para-Tolyl octanoate
    • Methylphenyl octanoate, p-
    • Tolyl octanoate, P-
    • Cresyl octanoate, p-
    • FEMA No. 3733
    • EINECS 261-803-1
    • p-Cresyl capryrate
    • p-Cresyl capyrlate
    • UNII-065NCY25ZE
    • BRN 3270557
    • 065NCY25ZE
    • AI3-31049
    • Octanoic acid,4-methylphenyl ester
    • NSC-24727
    • Caprylic acid, p-tolyl ester
    • DTXSID9052262
    • N-OCTANOICACIDP-TOLYLESTER
    • P-TOLYL OCTANOATE [FHFI]
    • 4-06-00-02113 (Beilstein Handbook Reference)
    • NSC 24727
    • para-cresyl caprylate
    • cresyl caprylate
    • FEMA 3733
    • p-Tolyl caprylate
    • p-Methylphenyl octanoate
    • 4-Methylphenyl octanoate #
    • WLN: 7VOR D1
    • SCHEMBL3504944
    • DTXCID9030834
    • CHEBI:196146
    • NSC24727
    • MFCD00027318
    • AKOS024333651
    • HY-W127523
    • BS-23789
    • DB-053412
    • CS-0185750
    • NS00012132
    • D89360
    • Q27236179

  • Applications

    p-Cresyl octanoate is primarily used as a fragrance ingredient and fixative in perfumery, helping to impart woody-aromatic notes with extended scent retention. It is commonly evaluated for cosmetic and personal care formulations as a scent component or carrier compatible with other fragrance materials. In household products, it may function as a fragrance additive in cleaners, detergents, and air fresheners to improve scent longevity. It can serve as an intermediate in fragrance synthesis, enabling the incorporation of cresyl motifs into more complex formulations, and may be used as a processing aid or odorant component in coatings and inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4718.5
    methanol 6001.35
    isopropanol 2481.48
    water 0.11
    ethyl acetate 5228.79
    n-propanol 3420.51
    acetone 8251.48
    n-butanol 2682.65
    acetonitrile 5152.2
    DMF 7907.24
    toluene 1416.26
    isobutanol 2135.66
    1,4-dioxane 3938.05
    methyl acetate 3694.99
    THF 4451.98
    2-butanone 5359.84
    n-pentanol 1700.69
    sec-butanol 2197.49
    n-hexane 221.38
    ethylene glycol 314.34
    NMP 3477.05
    cyclohexane 246.34
    DMSO 7706.44
    n-butyl acetate 2820.74
    n-octanol 387.07
    chloroform 6535.31
    n-propyl acetate 2476.58
    acetic acid 2073.38
    dichloromethane 7421.14
    cyclohexanone 5130.65
    propylene glycol 635.24
    isopropyl acetate 2674.58
    DMAc 4837.55
    2-ethoxyethanol 2182.52
    isopentanol 2015.93
    n-heptane 47.22
    ethyl formate 1889.76
    1,2-dichloroethane 6767.89
    n-hexanol 1361.52
    2-methoxyethanol 3793.7
    isobutyl acetate 1333.32
    tetrachloromethane 514.44
    n-pentyl acetate 1144.52
    transcutol 7106.99
    n-heptanol 393.52
    ethylbenzene 675.24
    MIBK 1832.18
    2-propoxyethanol 2292.48
    tert-butanol 2359.58
    MTBE 3553.72
    2-butoxyethanol 980.95
    propionic acid 1859.71
    o-xylene 639.92
    formic acid 509.79
    diethyl ether 4353.86
    m-xylene 731.18
    p-xylene 849.75
    chlorobenzene 2108.85
    dimethyl carbonate 1048.82
    n-octane 22.78
    formamide 1317.14
    cyclopentanone 4617.78
    2-pentanone 4275.05
    anisole 1674.43
    cyclopentyl methyl ether 2559.18
    gamma-butyrolactone 4150.18
    1-methoxy-2-propanol 2631.95
    pyridine 4220.53
    3-pentanone 2694.55
    furfural 2878.79
    n-dodecane 19.96
    diethylene glycol 1252.52
    diisopropyl ether 780.68
    tert-amyl alcohol 2026.74
    acetylacetone 3779.48
    n-hexadecane 24.76
    acetophenone 1399.77
    methyl propionate 3287.16
    isopentyl acetate 2253.07
    trichloroethylene 8989.02
    n-nonanol 332.97
    cyclohexanol 1731.09
    benzyl alcohol 1125.41
    2-ethylhexanol 725.78
    isooctanol 350.82
    dipropyl ether 1000.36
    1,2-dichlorobenzene 1727.78
    ethyl lactate 630.72
    propylene carbonate 2131.46
    n-methylformamide 3222.81
    2-pentanol 1511.49
    n-pentane 120.29
    1-propoxy-2-propanol 1515.42
    1-methoxy-2-propyl acetate 2071.1
    2-(2-methoxypropoxy) propanol 943.58
    mesitylene 396.75
    ε-caprolactone 3471.95
    p-cymene 245.41
    epichlorohydrin 6049.81
    1,1,1-trichloroethane 3891.35
    2-aminoethanol 1068.44
    morpholine-4-carbaldehyde 3128.64
    sulfolane 4410.4
    2,2,4-trimethylpentane 76.35
    2-methyltetrahydrofuran 3880.96
    n-hexyl acetate 1463.07
    isooctane 59.04
    2-(2-butoxyethoxy)ethanol 1501.49
    sec-butyl acetate 1532.08
    tert-butyl acetate 2271.48
    decalin 142.9
    glycerin 644.84
    diglyme 2797.09
    acrylic acid 1232.08
    isopropyl myristate 419.47
    n-butyric acid 3074.36
    acetyl acetate 2005.44
    di(2-ethylhexyl) phthalate 374.21
    ethyl propionate 1987.81
    nitromethane 5093.82
    1,2-diethoxyethane 2744.95
    benzonitrile 1657.38
    trioctyl phosphate 250.31
    1-bromopropane 3438.11
    gamma-valerolactone 4914.62
    n-decanol 230.14
    triethyl phosphate 420.58
    4-methyl-2-pentanol 662.84
    propionitrile 3022.43
    vinylene carbonate 1770.82
    1,1,2-trichlorotrifluoroethane 2665.06
    DMS 1285.09
    cumene 376.48
    2-octanol 288.01
    2-hexanone 2512.39
    octyl acetate 533.56
    limonene 423.17
    1,2-dimethoxyethane 3831.61
    ethyl orthosilicate 411.24
    tributyl phosphate 405.7
    diacetone alcohol 1795.98
    N,N-dimethylaniline 849.55
    acrylonitrile 3226.99
    aniline 1817.84
    1,3-propanediol 1573.67
    bromobenzene 2416.28
    dibromomethane 4888.47
    1,1,2,2-tetrachloroethane 7610.77
    2-methyl-cyclohexyl acetate 812.36
    tetrabutyl urea 502.23
    diisobutyl methanol 330.68
    2-phenylethanol 993.36
    styrene 1111.91
    dioctyl adipate 609.51
    dimethyl sulfate 1435.9
    ethyl butyrate 1415.95
    methyl lactate 904.8
    butyl lactate 761.42
    diethyl carbonate 833.98
    propanediol butyl ether 888.17
    triethyl orthoformate 726.65
    p-tert-butyltoluene 239.96
    methyl 4-tert-butylbenzoate 738.07
    morpholine 5781.37
    tert-butylamine 1383.83
    n-dodecanol 169.64
    dimethoxymethane 3661.5
    ethylene carbonate 1665.32
    cyrene 707.1
    2-ethoxyethyl acetate 1697.74
    2-ethylhexyl acetate 1617.7
    1,2,4-trichlorobenzene 1943.42
    4-methylpyridine 4258.17
    dibutyl ether 932.6
    2,6-dimethyl-4-heptanol 330.68
    DEF 4607.99
    dimethyl isosorbide 1406.8
    tetrachloroethylene 3775.13
    eugenol 793.01
    triacetin 1071.54
    span 80 718.09
    1,4-butanediol 595.16
    1,1-dichloroethane 5620.4
    2-methyl-1-pentanol 1465.24
    methyl formate 1753.09
    2-methyl-1-butanol 2072.33
    n-decane 35.56
    butyronitrile 3176.68
    3,7-dimethyl-1-octanol 498.13
    1-chlorooctane 315.78
    1-chlorotetradecane 102.27
    n-nonane 34.28
    undecane 25.39
    tert-butylcyclohexane 123.56
    cyclooctane 52.15
    cyclopentanol 1573.2
    tetrahydropyran 4926.01
    tert-amyl methyl ether 1947.7
    2,5,8-trioxanonane 1640.28
    1-hexene 1353.99
    2-isopropoxyethanol 1468.23
    2,2,2-trifluoroethanol 502.66
    methyl butyrate 2977.08

    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