4-Methylphenyl heptanoate

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  • Identifiers

    CAS number
    71662-19-6

    Molecular formula
    C14H20O2

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

  • Odor profile

    Fragrance
    Floral 79.71%
    Animal 56.66%
    Herbal 54.41%
    Green 43.22%
    Balsamic 37.63%
    Honey 33.51%
    Sweet 33.03%
    Jasmin 32.19%
    Oily 30.53%
    Phenolic 29.86%

     

    Flavor
    Herbal 49.16%
    Woody 45.2%
    Sweet 43.98%
    Spicy 33.9%
    Waxy 33.15%
    Oily 31.77%
    Floral 29.7%
    Balsam 29.63%
    Warm 27.63%
    Coconut 26.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.73 (weak base)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    286°C

    Flash point

    • 135.6 ˚C est.

  • Synonyms

    • p-Tolyl heptanoate
    • 4-Methylphenyl heptanoate
    • 71662-19-6
    • EINECS 275-784-2
    • p-Cresyl heptanoate
    • Heptanoic acid,4-methylphenyl ester
    • 4-Methylphenyl heptanoate #
    • TN9E3F39DA
    • SCHEMBL13401891
    • DTXSID50992244
    • NS00061719
    • Q63391615

  • Applications

    4-Methylphenyl heptanoate is primarily used as a fragrance ingredient in perfumery, where it may act as a fixative to help extend the scent. It is also commonly considered a fragrance component in cosmetics and personal care products, such as creams, shampoos, and fragrant formulations. In household products and cleaning formulations, it can contribute aroma in air fresheners, detergents, and cleaners. In industrial manufacturing, it may serve as an aroma-chemical intermediate for the synthesis of other fragrance compounds. Additionally, it can be employed as a fragrance additive in polymer formulations, coatings, or inks to impart or stabilize odor characteristics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3252.62
    methanol 4147.11
    isopropanol 1564.01
    water 0.13
    ethyl acetate 3960.39
    n-propanol 2379.66
    acetone 6098.83
    n-butanol 1986.93
    acetonitrile 3860.16
    DMF 7923.85
    toluene 1359.86
    isobutanol 1529.37
    1,4-dioxane 3157.32
    methyl acetate 3114.22
    THF 3866.35
    2-butanone 4485.33
    n-pentanol 1310.13
    sec-butanol 1575.4
    n-hexane 197.98
    ethylene glycol 324.2
    NMP 3848.34
    cyclohexane 185.93
    DMSO 7522.22
    n-butyl acetate 2327.28
    n-octanol 316.09
    chloroform 6378.57
    n-propyl acetate 1931.62
    acetic acid 1816.72
    dichloromethane 7013.42
    cyclohexanone 4257.13
    propylene glycol 564.86
    isopropyl acetate 1982.9
    DMAc 4971.01
    2-ethoxyethanol 1852.91
    isopentanol 1557.08
    n-heptane 35.56
    ethyl formate 1493.1
    1,2-dichloroethane 6475.88
    n-hexanol 1116.81
    2-methoxyethanol 3230.06
    isobutyl acetate 1048.65
    tetrachloromethane 438.02
    n-pentyl acetate 873.59
    transcutol 6940.23
    n-heptanol 315.99
    ethylbenzene 641.84
    MIBK 1491.57
    2-propoxyethanol 1987.52
    tert-butanol 1680.07
    MTBE 2670.38
    2-butoxyethanol 832.4
    propionic acid 1535.1
    o-xylene 594.39
    formic acid 545.64
    diethyl ether 3251.37
    m-xylene 676.11
    p-xylene 785.31
    chlorobenzene 2165.72
    dimethyl carbonate 1055.86
    n-octane 16.49
    formamide 1373.48
    cyclopentanone 4240.09
    2-pentanone 3435.63
    anisole 1679.23
    cyclopentyl methyl ether 2213.42
    gamma-butyrolactone 3885.99
    1-methoxy-2-propanol 2259.59
    pyridine 4069.44
    3-pentanone 2365.02
    furfural 2905.41
    n-dodecane 14.41
    diethylene glycol 1179.87
    diisopropyl ether 598.54
    tert-amyl alcohol 1615.37
    acetylacetone 3329.81
    n-hexadecane 17.9
    acetophenone 1391.97
    methyl propionate 2875.01
    isopentyl acetate 1861.81
    trichloroethylene 9358.25
    n-nonanol 273.93
    cyclohexanol 1329.97
    benzyl alcohol 1099.82
    2-ethylhexanol 601.95
    isooctanol 277.29
    dipropyl ether 767.56
    1,2-dichlorobenzene 1819.32
    ethyl lactate 562.12
    propylene carbonate 1953.53
    n-methylformamide 3040.26
    2-pentanol 1143.5
    n-pentane 104.87
    1-propoxy-2-propanol 1270.33
    1-methoxy-2-propyl acetate 1781.75
    2-(2-methoxypropoxy) propanol 908.66
    mesitylene 355.77
    ε-caprolactone 2967.87
    p-cymene 220.76
    epichlorohydrin 5897.82
    1,1,1-trichloroethane 3477.42
    2-aminoethanol 966.12
    morpholine-4-carbaldehyde 3129.77
    sulfolane 4455.76
    2,2,4-trimethylpentane 68.74
    2-methyltetrahydrofuran 3335.0
    n-hexyl acetate 1239.9
    isooctane 50.52
    2-(2-butoxyethoxy)ethanol 1443.75
    sec-butyl acetate 1214.37
    tert-butyl acetate 1836.8
    decalin 125.17
    glycerin 642.73
    diglyme 2583.54
    acrylic acid 1198.26
    isopropyl myristate 348.6
    n-butyric acid 2303.15
    acetyl acetate 1694.92
    di(2-ethylhexyl) phthalate 343.65
    ethyl propionate 1590.04
    nitromethane 4753.17
    1,2-diethoxyethane 2279.63
    benzonitrile 1632.58
    trioctyl phosphate 218.91
    1-bromopropane 3014.33
    gamma-valerolactone 4374.77
    n-decanol 189.8
    triethyl phosphate 376.19
    4-methyl-2-pentanol 530.23
    propionitrile 2444.19
    vinylene carbonate 1687.92
    1,1,2-trichlorotrifluoroethane 2746.75
    DMS 1245.08
    cumene 351.74
    2-octanol 227.85
    2-hexanone 2107.49
    octyl acetate 445.37
    limonene 367.06
    1,2-dimethoxyethane 3249.5
    ethyl orthosilicate 360.15
    tributyl phosphate 366.63
    diacetone alcohol 1597.27
    N,N-dimethylaniline 864.84
    acrylonitrile 2913.13
    aniline 1764.36
    1,3-propanediol 1300.32
    bromobenzene 2498.38
    dibromomethane 4575.47
    1,1,2,2-tetrachloroethane 7768.25
    2-methyl-cyclohexyl acetate 695.48
    tetrabutyl urea 457.18
    diisobutyl methanol 269.07
    2-phenylethanol 952.88
    styrene 1067.91
    dioctyl adipate 543.63
    dimethyl sulfate 1581.89
    ethyl butyrate 1118.66
    methyl lactate 864.75
    butyl lactate 656.72
    diethyl carbonate 700.13
    propanediol butyl ether 837.89
    triethyl orthoformate 596.03
    p-tert-butyltoluene 217.12
    methyl 4-tert-butylbenzoate 681.42
    morpholine 4776.5
    tert-butylamine 1016.36
    n-dodecanol 138.03
    dimethoxymethane 3273.6
    ethylene carbonate 1496.95
    cyrene 704.23
    2-ethoxyethyl acetate 1456.04
    2-ethylhexyl acetate 1350.8
    1,2,4-trichlorobenzene 2056.72
    4-methylpyridine 4078.67
    dibutyl ether 733.62
    2,6-dimethyl-4-heptanol 269.07
    DEF 4183.14
    dimethyl isosorbide 1355.72
    tetrachloroethylene 3660.15
    eugenol 749.48
    triacetin 959.98
    span 80 672.47
    1,4-butanediol 523.24
    1,1-dichloroethane 4916.32
    2-methyl-1-pentanol 1251.33
    methyl formate 1671.37
    2-methyl-1-butanol 1637.73
    n-decane 25.84
    butyronitrile 2442.19
    3,7-dimethyl-1-octanol 436.25
    1-chlorooctane 253.56
    1-chlorotetradecane 83.28
    n-nonane 24.79
    undecane 18.33
    tert-butylcyclohexane 109.79
    cyclooctane 44.0
    cyclopentanol 1238.85
    tetrahydropyran 3788.92
    tert-amyl methyl ether 1653.92
    2,5,8-trioxanonane 1535.62
    1-hexene 1131.36
    2-isopropoxyethanol 1250.92
    2,2,2-trifluoroethanol 463.54
    methyl butyrate 2363.62

    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