p-Tolyl pivalate

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  • Identifiers

    CAS number
    69120-23-6

    Molecular formula
    C12H16O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 63.29%
    Herbal 45.67%
    Fruity 40.92%
    Animal 40.75%
    Green 33.04%
    Phenolic 32.88%
    Spicy 29.03%
    Honey 27.59%
    Woody 27.41%
    Dry 27.09%

     

    Flavor
    Herbal 58.1%
    Sweet 48.48%
    Fruity 42.81%
    Woody 42.42%
    Floral 39.34%
    Camphor 31.25%
    Tobacco 30.33%
    Spicy 26.34%
    Musty 25.93%
    Green 25.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.15 (weak base)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point

    • 94.29 ˚C est.

  • Synonyms

    • p-Tolyl pivalate
    • 69120-23-6
    • DTXSID60341365
    • RefChem:367814
    • DTXCID80292446
    • FQUYWADLJYCJJO-UHFFFAOYSA-N
    • 4-METHYLPHENYL 2,2-DIMETHYLPROPANOATE
    • Propanoic acid, 2,2-dimethyl-, 4-methylphenyl ester
    • 4-Methylphenyl pivalate
    • 4-Methylphenyl pivalate #
    • SCHEMBL4569941
    • SCHEMBL9670071
    • AKOS006241575
    • E87979
    • Civetate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1254.35
    methanol 934.97
    isopropanol 1133.7
    water 1.49
    ethyl acetate 1927.91
    n-propanol 1123.83
    acetone 1767.85
    n-butanol 1060.72
    acetonitrile 1602.08
    DMF 2485.1
    toluene 901.49
    isobutanol 997.69
    1,4-dioxane 1612.99
    methyl acetate 2090.6
    THF 1981.95
    2-butanone 2416.25
    n-pentanol 983.2
    sec-butanol 1483.42
    n-hexane 335.27
    ethylene glycol 167.67
    NMP 1329.04
    cyclohexane 212.22
    DMSO 796.46
    n-butyl acetate 1890.83
    n-octanol 787.18
    chloroform 3290.95
    n-propyl acetate 1450.66
    acetic acid 827.52
    dichloromethane 2584.72
    cyclohexanone 1635.26
    propylene glycol 412.15
    isopropyl acetate 1254.8
    DMAc 2449.25
    2-ethoxyethanol 1160.69
    isopentanol 1134.23
    n-heptane 178.64
    ethyl formate 1233.03
    1,2-dichloroethane 1601.58
    n-hexanol 1289.11
    2-methoxyethanol 1339.21
    isobutyl acetate 1007.42
    tetrachloromethane 371.22
    n-pentyl acetate 863.44
    transcutol 2286.83
    n-heptanol 709.6
    ethylbenzene 907.53
    MIBK 1139.75
    2-propoxyethanol 1484.82
    tert-butanol 1567.69
    MTBE 2109.51
    2-butoxyethanol 1007.36
    propionic acid 908.04
    o-xylene 657.7
    formic acid 318.7
    diethyl ether 1402.82
    m-xylene 694.41
    p-xylene 1172.61
    chlorobenzene 1100.19
    dimethyl carbonate 624.09
    n-octane 120.69
    formamide 632.93
    cyclopentanone 1716.4
    2-pentanone 1741.36
    anisole 1573.37
    cyclopentyl methyl ether 1021.12
    gamma-butyrolactone 1731.88
    1-methoxy-2-propanol 1233.9
    pyridine 1538.84
    3-pentanone 1336.53
    furfural 1696.91
    n-dodecane 97.45
    diethylene glycol 776.76
    diisopropyl ether 588.77
    tert-amyl alcohol 1893.96
    acetylacetone 1520.29
    n-hexadecane 108.42
    acetophenone 1320.44
    methyl propionate 1428.91
    isopentyl acetate 1722.13
    trichloroethylene 3205.63
    n-nonanol 692.62
    cyclohexanol 776.69
    benzyl alcohol 963.88
    2-ethylhexanol 906.78
    isooctanol 616.46
    dipropyl ether 835.95
    1,2-dichlorobenzene 1031.04
    ethyl lactate 628.85
    propylene carbonate 1331.69
    n-methylformamide 1135.02
    2-pentanol 1004.01
    n-pentane 196.29
    1-propoxy-2-propanol 1234.99
    1-methoxy-2-propyl acetate 1366.06
    2-(2-methoxypropoxy) propanol 923.6
    mesitylene 461.79
    ε-caprolactone 1617.63
    p-cymene 469.47
    epichlorohydrin 2147.01
    1,1,1-trichloroethane 1972.5
    2-aminoethanol 486.04
    morpholine-4-carbaldehyde 1659.71
    sulfolane 1214.16
    2,2,4-trimethylpentane 178.99
    2-methyltetrahydrofuran 1883.65
    n-hexyl acetate 1377.56
    isooctane 136.17
    2-(2-butoxyethoxy)ethanol 1198.33
    sec-butyl acetate 1191.03
    tert-butyl acetate 1349.35
    decalin 228.83
    glycerin 375.01
    diglyme 1793.39
    acrylic acid 703.05
    isopropyl myristate 568.84
    n-butyric acid 1294.11
    acetyl acetate 1017.17
    di(2-ethylhexyl) phthalate 411.17
    ethyl propionate 1256.17
    nitromethane 1747.38
    1,2-diethoxyethane 1338.64
    benzonitrile 1230.81
    trioctyl phosphate 331.84
    1-bromopropane 1218.23
    gamma-valerolactone 2071.91
    n-decanol 524.01
    triethyl phosphate 463.08
    4-methyl-2-pentanol 710.0
    propionitrile 1362.05
    vinylene carbonate 1277.22
    1,1,2-trichlorotrifluoroethane 1256.05
    DMS 899.87
    cumene 632.22
    2-octanol 581.5
    2-hexanone 1574.69
    octyl acetate 730.74
    limonene 604.45
    1,2-dimethoxyethane 1951.83
    ethyl orthosilicate 465.91
    tributyl phosphate 449.02
    diacetone alcohol 1326.8
    N,N-dimethylaniline 1082.58
    acrylonitrile 1457.77
    aniline 817.54
    1,3-propanediol 692.84
    bromobenzene 1206.46
    dibromomethane 1874.1
    1,1,2,2-tetrachloroethane 2656.99
    2-methyl-cyclohexyl acetate 869.82
    tetrabutyl urea 522.03
    diisobutyl methanol 487.99
    2-phenylethanol 1024.2
    styrene 984.78
    dioctyl adipate 674.22
    dimethyl sulfate 690.91
    ethyl butyrate 1229.71
    methyl lactate 594.01
    butyl lactate 683.41
    diethyl carbonate 830.58
    propanediol butyl ether 887.86
    triethyl orthoformate 709.76
    p-tert-butyltoluene 467.41
    methyl 4-tert-butylbenzoate 888.91
    morpholine 1829.58
    tert-butylamine 1101.89
    n-dodecanol 411.03
    dimethoxymethane 1241.31
    ethylene carbonate 1033.84
    cyrene 728.88
    2-ethoxyethyl acetate 1040.81
    2-ethylhexyl acetate 1321.58
    1,2,4-trichlorobenzene 1116.74
    4-methylpyridine 2029.75
    dibutyl ether 890.55
    2,6-dimethyl-4-heptanol 487.99
    DEF 1770.52
    dimethyl isosorbide 1260.67
    tetrachloroethylene 1362.68
    eugenol 845.19
    triacetin 893.03
    span 80 774.56
    1,4-butanediol 391.86
    1,1-dichloroethane 2100.53
    2-methyl-1-pentanol 1140.7
    methyl formate 853.99
    2-methyl-1-butanol 1134.45
    n-decane 156.83
    butyronitrile 1514.74
    3,7-dimethyl-1-octanol 825.21
    1-chlorooctane 599.56
    1-chlorotetradecane 244.99
    n-nonane 158.73
    undecane 118.86
    tert-butylcyclohexane 262.92
    cyclooctane 98.93
    cyclopentanol 763.37
    tetrahydropyran 1557.4
    tert-amyl methyl ether 1667.34
    2,5,8-trioxanonane 1241.26
    1-hexene 1031.54
    2-isopropoxyethanol 1008.18
    2,2,2-trifluoroethanol 338.33
    methyl butyrate 1724.6

    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