Benzeneacetic acid, (4-(1-methylethyl)phenyl)methyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    94087-24-8

    Molecular formula
    C18H20O2

    SMILES
    CC(C)C1=CC=C(C=C1)COC(=O)CC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Floral 65.95%
    Sweet 62.94%
    Balsamic 62.57%
    Honey 58.96%
    Rose 50.26%
    Fruity 50.1%
    Green 45.7%
    Herbal 42.51%
    Spicy 35.75%
    Powdery 32.22%

     

    Flavor
    Sweet 73.97%
    Floral 60.63%
    Balsam 57.29%
    Honey 49.57%
    Rose 47.29%
    Green 45.42%
    Herbal 42.02%
    Waxy 41.53%
    Fruity 39.55%
    Chocolate 35.5%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.38 (neutral)

    Molecular weight
    268.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    356°C

    Flash point

    • 165.18 ˚C est.

  • Synonyms

    • Benzeneacetic acid, [4-(1-methylethyl)phenyl]methyl ester
    • Benzeneacetic acid, (4-(1-methylethyl)phenyl)methyl ester
    • RefChem:562819
    • 4-Isopropylbenzyl phenylacetate
    • 94087-24-8
    • EINECS 301-917-1
    • D7UM63DF23
    • DTXSID90240413
    • YLYZPMRGUDMETE-UHFFFAOYSA-N
    • [4-(Propan-2-yl)phenyl]methyl phenylacetate
    • NS00039969
    • [4-(1-Methylethyl)phenyl]methyl benzeneacetate
    • 94087-24-8

  • Applications

    Benzeneacetic acid, (4-(1-methylethyl)phenyl)methyl ester, CAS 94087-24-8 is known as a fragrance intermediate and aroma ester; it is commonly used as a component in perfumery and in the synthesis of fragrance materials; it is also employed in cosmetics and personal care as an aroma ingredient; household products and air fresheners may contain it; in industrial manufacturing it serves as an intermediate for fragrance synthesis and related compounds; in coatings, inks, and polymer formulations it can function as an odor carrier or aroma-related intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 275.6
    methanol 245.36
    isopropanol 110.83
    water 0.07
    ethyl acetate 616.14
    n-propanol 205.72
    acetone 361.25
    n-butanol 147.09
    acetonitrile 379.34
    DMF 392.17
    toluene 261.03
    isobutanol 91.23
    1,4-dioxane 672.47
    methyl acetate 496.38
    THF 801.51
    2-butanone 537.26
    n-pentanol 121.05
    sec-butanol 122.91
    n-hexane 5.29
    ethylene glycol 14.95
    NMP 231.84
    cyclohexane 9.5
    DMSO 426.28
    n-butyl acetate 276.02
    n-octanol 27.89
    chloroform 1954.57
    n-propyl acetate 301.49
    acetic acid 135.14
    dichloromethane 2205.08
    cyclohexanone 476.19
    propylene glycol 51.71
    isopropyl acetate 252.66
    DMAc 639.38
    2-ethoxyethanol 258.97
    isopentanol 110.5
    n-heptane 4.6
    ethyl formate 194.36
    1,2-dichloroethane 1475.08
    n-hexanol 100.32
    2-methoxyethanol 313.47
    isobutyl acetate 165.04
    tetrachloromethane 56.47
    n-pentyl acetate 96.3
    transcutol 1119.95
    n-heptanol 36.41
    ethylbenzene 118.06
    MIBK 189.77
    2-propoxyethanol 262.25
    tert-butanol 114.84
    MTBE 184.35
    2-butoxyethanol 113.87
    propionic acid 154.62
    o-xylene 102.09
    formic acid 34.7
    diethyl ether 372.91
    m-xylene 110.0
    p-xylene 121.23
    chlorobenzene 401.21
    dimethyl carbonate 148.72
    n-octane 2.33
    formamide 131.61
    cyclopentanone 582.3
    2-pentanone 357.09
    anisole 328.89
    cyclopentyl methyl ether 249.11
    gamma-butyrolactone 571.51
    1-methoxy-2-propanol 252.83
    pyridine 682.17
    3-pentanone 315.0
    furfural 462.61
    n-dodecane 2.46
    diethylene glycol 126.26
    diisopropyl ether 52.45
    tert-amyl alcohol 103.17
    acetylacetone 396.4
    n-hexadecane 2.93
    acetophenone 271.11
    methyl propionate 415.49
    isopentyl acetate 222.67
    trichloroethylene 2118.14
    n-nonanol 31.36
    cyclohexanol 94.69
    benzyl alcohol 190.97
    2-ethylhexanol 62.84
    isooctanol 35.41
    dipropyl ether 125.19
    1,2-dichlorobenzene 333.41
    ethyl lactate 88.33
    propylene carbonate 290.08
    n-methylformamide 208.46
    2-pentanol 82.52
    n-pentane 2.97
    1-propoxy-2-propanol 174.14
    1-methoxy-2-propyl acetate 291.25
    2-(2-methoxypropoxy) propanol 157.57
    mesitylene 52.08
    ε-caprolactone 383.7
    p-cymene 46.81
    epichlorohydrin 1268.96
    1,1,1-trichloroethane 574.4
    2-aminoethanol 67.55
    morpholine-4-carbaldehyde 365.7
    sulfolane 463.75
    2,2,4-trimethylpentane 4.84
    2-methyltetrahydrofuran 434.26
    n-hexyl acetate 121.16
    isooctane 3.81
    2-(2-butoxyethoxy)ethanol 227.35
    sec-butyl acetate 194.98
    tert-butyl acetate 220.07
    decalin 11.19
    glycerin 54.3
    diglyme 532.28
    acrylic acid 117.85
    isopropyl myristate 53.65
    n-butyric acid 227.1
    acetyl acetate 244.81
    di(2-ethylhexyl) phthalate 55.11
    ethyl propionate 272.76
    nitromethane 475.84
    1,2-diethoxyethane 379.2
    benzonitrile 237.7
    trioctyl phosphate 29.89
    1-bromopropane 489.61
    gamma-valerolactone 598.2
    n-decanol 25.07
    triethyl phosphate 81.86
    4-methyl-2-pentanol 49.27
    propionitrile 280.12
    vinylene carbonate 265.99
    1,1,2-trichlorotrifluoroethane 377.8
    DMS 182.54
    cumene 63.13
    2-octanol 21.47
    2-hexanone 258.03
    octyl acetate 62.87
    limonene 61.24
    1,2-dimethoxyethane 503.34
    ethyl orthosilicate 77.58
    tributyl phosphate 48.8
    diacetone alcohol 199.55
    N,N-dimethylaniline 155.32
    acrylonitrile 347.51
    aniline 236.61
    1,3-propanediol 102.54
    bromobenzene 429.88
    dibromomethane 1155.23
    1,1,2,2-tetrachloroethane 1529.5
    2-methyl-cyclohexyl acetate 135.91
    tetrabutyl urea 61.97
    diisobutyl methanol 40.12
    2-phenylethanol 158.66
    styrene 170.7
    dioctyl adipate 97.83
    dimethyl sulfate 193.74
    ethyl butyrate 216.48
    methyl lactate 108.14
    butyl lactate 81.05
    diethyl carbonate 144.53
    propanediol butyl ether 84.55
    triethyl orthoformate 124.0
    p-tert-butyltoluene 42.41
    methyl 4-tert-butylbenzoate 144.7
    morpholine 781.35
    tert-butylamine 56.97
    n-dodecanol 19.5
    dimethoxymethane 458.98
    ethylene carbonate 224.08
    cyrene 139.01
    2-ethoxyethyl acetate 210.74
    2-ethylhexyl acetate 173.75
    1,2,4-trichlorobenzene 362.39
    4-methylpyridine 529.99
    dibutyl ether 86.44
    2,6-dimethyl-4-heptanol 40.12
    DEF 364.78
    dimethyl isosorbide 312.82
    tetrachloroethylene 657.71
    eugenol 139.66
    triacetin 163.48
    span 80 97.76
    1,4-butanediol 44.45
    1,1-dichloroethane 942.11
    2-methyl-1-pentanol 111.74
    methyl formate 143.13
    2-methyl-1-butanol 101.08
    n-decane 4.01
    butyronitrile 244.01
    3,7-dimethyl-1-octanol 47.08
    1-chlorooctane 32.09
    1-chlorotetradecane 12.54
    n-nonane 3.32
    undecane 3.03
    tert-butylcyclohexane 10.42
    cyclooctane 2.91
    cyclopentanol 90.7
    tetrahydropyran 553.41
    tert-amyl methyl ether 132.08
    2,5,8-trioxanonane 326.49
    1-hexene 64.24
    2-isopropoxyethanol 169.8
    2,2,2-trifluoroethanol 48.62
    methyl butyrate 333.52

    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