p-Tolyl undec-10-enoate

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  • Identifiers

    CAS number
    67874-76-4

    Molecular formula
    C18H26O2

    SMILES
    CC1=CC=C(C=C1)OC(=O)CCCCCCCCC=C

    Safety labels

  • Odor profile

    Fragrance
    Floral 77.75%
    Sweet 58.52%
    Waxy 57.5%
    Fatty 48.75%
    Balsamic 44.86%
    Rose 44.78%
    Honey 42.96%
    Green 39.03%
    Oily 38.01%
    Herbal 34.76%

     

    Flavor
    Waxy 46.96%
    Woody 43.29%
    Fruity 42.99%
    Herbal 38.56%
    Sweet 36.87%
    Oily 36.17%
    Floral 34.16%
    Fatty 33.56%
    Creamy 28.37%
    Fresh 27.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    7.34 (neutral)

    Molecular weight
    274.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 163.54 ˚C est.

  • Synonyms

    • p-Tolyl undec-10-enoate
    • 10-Undecenoic acid, 4-methylphenyl ester
    • 67874-76-4
    • (4-methylphenyl) undec-10-enoate
    • EA2GXO5BMT
    • p-Cresyl 10-undecylenate
    • EINECS 267-504-2
    • DTXSID9070745
    • RefChem:858243
    • DTXCID0045171
    • 267-504-2
    • 4-METHYLPHENYL UNDEC-10-ENOATE
    • UNII-EA2GXO5BMT
    • SCHEMBL28158388
    • JBSXTRRQRUQNQG-UHFFFAOYSA-N
    • NS00036246
    • 67874-76-4

  • Applications

    p-Tolyl undec-10-enoate (CAS 67874-76-4) is used as a functional monomer and intermediate in organic synthesis, and can act as a reactive building block for unsaturated polyesters and UV-curable coatings, inks, and adhesives in industrial manufacturing. It may also serve as a precursor to specialty esters and other aryl-containing chemicals. Additionally, its aryl-tolyl moiety and ester functionality make it a candidate as an odorant or fixative component in perfumery and fragrance formulations, while potential cosmetic/personal care applications could involve fragrance use subject to regulatory approval.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2126.0
    methanol 1923.45
    isopropanol 1403.51
    water 0.04
    ethyl acetate 2798.07
    n-propanol 1656.7
    acetone 3731.88
    n-butanol 1387.0
    acetonitrile 1528.18
    DMF 3216.73
    toluene 935.31
    isobutanol 1091.29
    1,4-dioxane 2076.0
    methyl acetate 1749.67
    THF 3417.69
    2-butanone 2932.63
    n-pentanol 977.18
    sec-butanol 1388.94
    n-hexane 120.9
    ethylene glycol 65.1
    NMP 1926.35
    cyclohexane 207.0
    DMSO 3601.43
    n-butyl acetate 1403.4
    n-octanol 205.29
    chloroform 3766.53
    n-propyl acetate 1435.02
    acetic acid 798.31
    dichloromethane 4504.53
    cyclohexanone 3181.12
    propylene glycol 228.41
    isopropyl acetate 1496.79
    DMAc 2982.28
    2-ethoxyethanol 1178.01
    isopentanol 1102.88
    n-heptane 34.91
    ethyl formate 854.64
    1,2-dichloroethane 3827.51
    n-hexanol 652.32
    2-methoxyethanol 1742.5
    isobutyl acetate 837.76
    tetrachloromethane 320.63
    n-pentyl acetate 716.37
    transcutol 4120.38
    n-heptanol 227.87
    ethylbenzene 425.85
    MIBK 1142.78
    2-propoxyethanol 1154.91
    tert-butanol 1223.28
    MTBE 2046.55
    2-butoxyethanol 575.43
    propionic acid 788.59
    o-xylene 450.87
    formic acid 150.67
    diethyl ether 2810.73
    m-xylene 468.4
    p-xylene 501.93
    chlorobenzene 1207.68
    dimethyl carbonate 493.88
    n-octane 16.38
    formamide 395.19
    cyclopentanone 2733.61
    2-pentanone 2513.33
    anisole 961.76
    cyclopentyl methyl ether 1705.71
    gamma-butyrolactone 2208.32
    1-methoxy-2-propanol 1369.04
    pyridine 2297.34
    3-pentanone 1679.84
    furfural 1498.81
    n-dodecane 13.3
    diethylene glycol 514.71
    diisopropyl ether 491.38
    tert-amyl alcohol 1197.33
    acetylacetone 2002.34
    n-hexadecane 16.24
    acetophenone 843.83
    methyl propionate 1719.25
    isopentyl acetate 1195.68
    trichloroethylene 5035.38
    n-nonanol 191.57
    cyclohexanol 1099.57
    benzyl alcohol 623.66
    2-ethylhexanol 393.41
    isooctanol 222.08
    dipropyl ether 655.71
    1,2-dichlorobenzene 1029.74
    ethyl lactate 370.48
    propylene carbonate 1157.1
    n-methylformamide 1123.25
    2-pentanol 919.18
    n-pentane 77.65
    1-propoxy-2-propanol 840.95
    1-methoxy-2-propyl acetate 1109.59
    2-(2-methoxypropoxy) propanol 570.94
    mesitylene 256.77
    ε-caprolactone 2029.81
    p-cymene 162.08
    epichlorohydrin 3594.48
    1,1,1-trichloroethane 2155.96
    2-aminoethanol 355.83
    morpholine-4-carbaldehyde 1577.77
    sulfolane 2427.06
    2,2,4-trimethylpentane 56.24
    2-methyltetrahydrofuran 2869.13
    n-hexyl acetate 823.09
    isooctane 40.45
    2-(2-butoxyethoxy)ethanol 878.29
    sec-butyl acetate 975.18
    tert-butyl acetate 1308.39
    decalin 93.8
    glycerin 225.73
    diglyme 1727.75
    acrylic acid 453.83
    isopropyl myristate 257.72
    n-butyric acid 1586.97
    acetyl acetate 1011.8
    di(2-ethylhexyl) phthalate 224.54
    ethyl propionate 1169.44
    nitromethane 1897.3
    1,2-diethoxyethane 1713.15
    benzonitrile 823.89
    trioctyl phosphate 147.63
    1-bromopropane 2128.91
    gamma-valerolactone 2819.55
    n-decanol 131.2
    triethyl phosphate 294.63
    4-methyl-2-pentanol 401.17
    propionitrile 1187.44
    vinylene carbonate 904.21
    1,1,2-trichlorotrifluoroethane 1422.96
    DMS 704.94
    cumene 237.47
    2-octanol 168.49
    2-hexanone 1458.91
    octyl acetate 318.11
    limonene 299.23
    1,2-dimethoxyethane 2055.73
    ethyl orthosilicate 290.58
    tributyl phosphate 230.38
    diacetone alcohol 1085.74
    N,N-dimethylaniline 521.13
    acrylonitrile 1146.49
    aniline 960.9
    1,3-propanediol 644.91
    bromobenzene 1327.25
    dibromomethane 2858.69
    1,1,2,2-tetrachloroethane 4369.35
    2-methyl-cyclohexyl acetate 550.95
    tetrabutyl urea 311.45
    diisobutyl methanol 209.09
    2-phenylethanol 529.47
    styrene 625.93
    dioctyl adipate 382.36
    dimethyl sulfate 705.43
    ethyl butyrate 838.03
    methyl lactate 444.68
    butyl lactate 479.24
    diethyl carbonate 488.16
    propanediol butyl ether 461.89
    triethyl orthoformate 491.47
    p-tert-butyltoluene 155.49
    methyl 4-tert-butylbenzoate 485.42
    morpholine 3287.46
    tert-butylamine 693.49
    n-dodecanol 96.54
    dimethoxymethane 2028.09
    ethylene carbonate 867.13
    cyrene 445.06
    2-ethoxyethyl acetate 1036.02
    2-ethylhexyl acetate 890.82
    1,2,4-trichlorobenzene 1161.79
    4-methylpyridine 2276.17
    dibutyl ether 573.73
    2,6-dimethyl-4-heptanol 209.09
    DEF 2357.29
    dimethyl isosorbide 942.44
    tetrachloroethylene 2210.97
    eugenol 474.78
    triacetin 682.21
    span 80 435.3
    1,4-butanediol 237.58
    1,1-dichloroethane 3057.91
    2-methyl-1-pentanol 863.3
    methyl formate 624.78
    2-methyl-1-butanol 1134.65
    n-decane 24.51
    butyronitrile 1385.32
    3,7-dimethyl-1-octanol 284.03
    1-chlorooctane 187.17
    1-chlorotetradecane 64.11
    n-nonane 23.2
    undecane 17.06
    tert-butylcyclohexane 75.8
    cyclooctane 39.9
    cyclopentanol 924.64
    tetrahydropyran 3386.74
    tert-amyl methyl ether 1296.52
    2,5,8-trioxanonane 1008.12
    1-hexene 757.77
    2-isopropoxyethanol 852.94
    2,2,2-trifluoroethanol 187.9
    methyl butyrate 1685.72

    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