p-TOLYL ISOBUTYRATE

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  • Identifiers

    CAS number
    103-93-5

    Molecular formula
    C11H14O2

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

  • Odor profile

    Fragrance
    Fruity 86.28%
    Floral 62.45%
    Animal 45.86%
    Green 42.38%
    Honey 36.33%
    Berry 35.53%
    Grape 33.66%
    Phenolic 32.8%
    Sweet 30.28%
    Tropical 28.1%

     

    Flavor
    Sweet 55.22%
    Fruity 54.21%
    Floral 43.28%
    Herbal 39.42%
    Woody 31.58%
    Powdery 28.66%
    Berry 28.43%
    Tobacco 25.9%
    Tropical 25.65%
    Spicy 25.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.26 (weak base)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 94.95 ˚C est.

    Solubility expt.

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

  • Synonyms

    • p-Tolyl isobutyrate
    • 103-93-5
    • p-Cresyl isobutyrate
    • p-Methylphenyl isobutyrate
    • 4-Methylphenyl 2-methylpropanoate
    • ISOBUTYRIC ACID, p-TOLYL ESTER
    • Propanoic acid, 2-methyl-, 4-methylphenyl ester
    • (4-methylphenyl) 2-methylpropanoate
    • Cresyl isobutyrate, p-
    • FEMA No. 3075
    • para-Tolyl isobutyrate
    • Tolyl 2-methylpropanoate, p-
    • Isobutyric Acid p-Tolyl Ester
    • p-tolyl 2-methylpropanoate
    • Methylphenyl 2-methylpropanoate, p-
    • EINECS 203-159-6
    • BRN 2519560
    • Proapnoic acid, 2-methyl-, 4-methylphenyl ester
    • Paracresyl isobutyrate
    • AI3-21545
    • 8H719PT14T
    • Propanoic acid,2-methyl-, 4-methylphenyl ester
    • P-TOLYL ISOBUTYRATE [FCC]
    • P-TOLYL ISOBUTYRATE [FHFI]
    • 2-METHYLPROPANOIC ACID 4-METHYLPHENYL ESTER
    • p-TolylIsobutyrate
    • UNII-8H719PT14T
    • MFCD00026440
    • SCHEMBL891415
    • DTXCID6030071
    • FEMA 3075
    • UPPSFGGDKACIKP-UHFFFAOYSA-
    • p-Methylphenyl 2-methylpropanoate
    • CHEBI:173829
    • p-Tolyl isobutyrate, >=97%, FCC
    • AKOS024319242
    • BS-49220
    • DB-243605
    • CS-0187617
    • I0396
    • NS00012129
    • Propanoic acid,2-methyl-,4-methylphenyl ester
    • D91140
    • Q27270484
    • InChI=1/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
    • 203-159-6

  • Applications

    p-TOLYL ISOBUTYRATE (CAS 103-93-5) is used primarily as an aroma compound and fixative in the fragrance industry, contributing fruity and floral notes in perfumery formulations; it is commonly evaluated for use in cosmetics and personal care products as a fragrance ingredient; in household products such as room fragrances and scented cleaners it helps maintain a long-lasting fragrance profile; in coatings and inks it may serve as a fragrance additive to impart odor characteristics during application and curing; and in polymers and plastics it may act as an odorant or scent-retaining modifier to improve the consumer perception of the finished product, with use governed by formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1188.26
    methanol 1090.05
    isopropanol 1088.89
    water 1.06
    ethyl acetate 1667.54
    n-propanol 991.01
    acetone 1911.23
    n-butanol 1018.61
    acetonitrile 1645.15
    DMF 2632.12
    toluene 733.98
    isobutanol 923.65
    1,4-dioxane 1595.2
    methyl acetate 1836.77
    THF 1736.37
    2-butanone 2117.56
    n-pentanol 896.39
    sec-butanol 1221.88
    n-hexane 202.74
    ethylene glycol 160.92
    NMP 1383.22
    cyclohexane 124.61
    DMSO 1185.32
    n-butyl acetate 1691.01
    n-octanol 565.96
    chloroform 3368.81
    n-propyl acetate 1340.09
    acetic acid 857.22
    dichloromethane 3077.05
    cyclohexanone 1639.45
    propylene glycol 314.91
    isopropyl acetate 1028.55
    DMAc 2319.22
    2-ethoxyethanol 1069.84
    isopentanol 1051.57
    n-heptane 66.46
    ethyl formate 1122.26
    1,2-dichloroethane 1951.93
    n-hexanol 930.56
    2-methoxyethanol 1289.57
    isobutyl acetate 799.16
    tetrachloromethane 344.86
    n-pentyl acetate 724.44
    transcutol 2840.22
    n-heptanol 475.69
    ethylbenzene 622.36
    MIBK 882.1
    2-propoxyethanol 1187.34
    tert-butanol 1467.21
    MTBE 1816.12
    2-butoxyethanol 784.25
    propionic acid 804.75
    o-xylene 507.86
    formic acid 278.1
    diethyl ether 1232.98
    m-xylene 513.07
    p-xylene 814.25
    chlorobenzene 1043.91
    dimethyl carbonate 499.29
    n-octane 50.59
    formamide 595.55
    cyclopentanone 1720.46
    2-pentanone 1461.7
    anisole 1219.11
    cyclopentyl methyl ether 833.43
    gamma-butyrolactone 1745.03
    1-methoxy-2-propanol 994.88
    pyridine 1552.75
    3-pentanone 1123.78
    furfural 1676.01
    n-dodecane 45.91
    diethylene glycol 652.57
    diisopropyl ether 393.32
    tert-amyl alcohol 1497.88
    acetylacetone 1351.74
    n-hexadecane 52.36
    acetophenone 1044.06
    methyl propionate 1151.09
    isopentyl acetate 1441.45
    trichloroethylene 3631.07
    n-nonanol 460.04
    cyclohexanol 703.92
    benzyl alcohol 818.57
    2-ethylhexanol 617.88
    isooctanol 403.32
    dipropyl ether 553.51
    1,2-dichlorobenzene 926.81
    ethyl lactate 441.26
    propylene carbonate 1186.48
    n-methylformamide 1104.97
    2-pentanol 861.12
    n-pentane 107.63
    1-propoxy-2-propanol 934.15
    1-methoxy-2-propyl acetate 1039.11
    2-(2-methoxypropoxy) propanol 689.51
    mesitylene 305.06
    ε-caprolactone 1435.96
    p-cymene 271.52
    epichlorohydrin 2177.25
    1,1,1-trichloroethane 1852.84
    2-aminoethanol 412.9
    morpholine-4-carbaldehyde 1577.66
    sulfolane 1404.12
    2,2,4-trimethylpentane 98.55
    2-methyltetrahydrofuran 1598.91
    n-hexyl acetate 1123.91
    isooctane 72.2
    2-(2-butoxyethoxy)ethanol 966.43
    sec-butyl acetate 938.95
    tert-butyl acetate 1030.16
    decalin 133.48
    glycerin 316.94
    diglyme 1599.32
    acrylic acid 664.9
    isopropyl myristate 367.88
    n-butyric acid 1224.07
    acetyl acetate 887.72
    di(2-ethylhexyl) phthalate 291.52
    ethyl propionate 1012.02
    nitromethane 1711.85
    1,2-diethoxyethane 1228.24
    benzonitrile 1135.71
    trioctyl phosphate 216.1
    1-bromopropane 1203.12
    gamma-valerolactone 2005.06
    n-decanol 329.21
    triethyl phosphate 329.7
    4-methyl-2-pentanol 522.71
    propionitrile 1258.81
    vinylene carbonate 1157.85
    1,1,2-trichlorotrifluoroethane 1131.01
    DMS 756.33
    cumene 403.08
    2-octanol 397.35
    2-hexanone 1361.43
    octyl acetate 490.59
    limonene 380.61
    1,2-dimethoxyethane 1863.79
    ethyl orthosilicate 322.39
    tributyl phosphate 317.25
    diacetone alcohol 993.56
    N,N-dimethylaniline 750.53
    acrylonitrile 1383.19
    aniline 779.09
    1,3-propanediol 689.92
    bromobenzene 1169.27
    dibromomethane 2074.68
    1,1,2,2-tetrachloroethane 2809.24
    2-methyl-cyclohexyl acetate 591.44
    tetrabutyl urea 375.66
    diisobutyl methanol 319.17
    2-phenylethanol 772.9
    styrene 797.31
    dioctyl adipate 453.04
    dimethyl sulfate 615.95
    ethyl butyrate 956.27
    methyl lactate 420.68
    butyl lactate 527.67
    diethyl carbonate 641.14
    propanediol butyl ether 707.85
    triethyl orthoformate 506.35
    p-tert-butyltoluene 265.02
    methyl 4-tert-butylbenzoate 605.12
    morpholine 1768.77
    tert-butylamine 941.28
    n-dodecanol 246.15
    dimethoxymethane 1146.5
    ethylene carbonate 932.07
    cyrene 533.84
    2-ethoxyethyl acetate 919.82
    2-ethylhexyl acetate 1043.76
    1,2,4-trichlorobenzene 1034.65
    4-methylpyridine 1934.76
    dibutyl ether 705.57
    2,6-dimethyl-4-heptanol 319.17
    DEF 1627.87
    dimethyl isosorbide 888.32
    tetrachloroethylene 1514.34
    eugenol 634.34
    triacetin 703.09
    span 80 541.81
    1,4-butanediol 364.54
    1,1-dichloroethane 2219.92
    2-methyl-1-pentanol 1009.74
    methyl formate 846.37
    2-methyl-1-butanol 1020.59
    n-decane 77.58
    butyronitrile 1404.47
    3,7-dimethyl-1-octanol 556.67
    1-chlorooctane 389.69
    1-chlorotetradecane 140.32
    n-nonane 77.65
    undecane 57.21
    tert-butylcyclohexane 146.45
    cyclooctane 45.16
    cyclopentanol 652.57
    tetrahydropyran 1464.23
    tert-amyl methyl ether 1262.59
    2,5,8-trioxanonane 1041.28
    1-hexene 820.88
    2-isopropoxyethanol 869.56
    2,2,2-trifluoroethanol 323.69
    methyl butyrate 1518.2

    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