4-Isopropylphenylacetic acid

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  • Identifiers

    CAS number
    4476-28-2

    Molecular formula
    C11H14O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 51.05%
    Honey 47.77%
    Animal 47.0%
    Fatty 43.54%
    Sweet 42.39%
    Balsamic 37.37%
    Waxy 35.75%
    Spicy 33.95%
    Herbal 33.25%
    Phenolic 32.42%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.15 (weak base)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point est.
    150.01 ˚C

  • Synonyms

    • 4-Isopropylphenylacetic acid
    • 4476-28-2
    • 2-(4-Isopropylphenyl)acetic acid
    • Benzeneacetic acid, 4-(1-methylethyl)-
    • (4-isopropylphenyl)acetic acid
    • 2-(4-propan-2-ylphenyl)acetic acid
    • p-Cymene-7-carboxylic acid
    • 2-[4-(Propan-2-Yl)Phenyl]Acetic Acid
    • EINECS 224-755-2
    • MFCD00041035
    • p-isopropylphenylacetic acid
    • p-Isopropyl phenyl acetic acid
    • AI3-12008
    • DTXSID80196298
    • 4-(1-methylethyl)benzeneacetic acid
    • [4-(propan-2-yl)phenyl]acetic acid
    • 4-(Prop-2-yl)phenylacetic acid
    • (4-Isopropyl-phenyl)-acetic acid
    • 7-p-Cymenecarboxylic acid
    • 4-Isopropylphenylessigsaure
    • 4-isopropylpheylacetic acid
    • 537KKV5CJE
    • 4-isopropylphenyl acetic acid
    • SCHEMBL909093
    • (p-isopropylphenyl)acetic acid
    • 4-(Isopropyl)phenylacetic acid
    • DTXCID90118789
    • EAA47628
    • BBL027961
    • STL015389
    • AKOS000296244
    • PS-5581
    • BP-11956
    • SY019530
    • DB-051247
    • CS-0030404
    • NS00031457
    • EN300-110936
    • F20937
    • CS-002/03844024
    • Z362118700
    • 224-755-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 492.02
    methanol 600.71
    isopropanol 286.06
    water 1.21
    ethyl acetate 268.73
    n-propanol 350.01
    acetone 420.99
    n-butanol 254.7
    acetonitrile 211.7
    DMF 767.27
    toluene 57.15
    isobutanol 196.61
    1,4-dioxane 421.04
    methyl acetate 242.42
    THF 559.73
    2-butanone 298.51
    n-pentanol 220.4
    sec-butanol 207.54
    n-hexane 19.01
    ethylene glycol 124.02
    NMP 382.65
    cyclohexane 4.54
    DMSO 576.4
    n-butyl acetate 156.04
    n-octanol 62.28
    chloroform 116.98
    n-propyl acetate 127.23
    acetic acid 171.99
    dichloromethane 86.55
    cyclohexanone 266.84
    propylene glycol 224.18
    isopropyl acetate 148.45
    DMAc 564.62
    2-ethoxyethanol 342.75
    isopentanol 206.22
    n-heptane 5.54
    ethyl formate 101.8
    1,2-dichloroethane 116.04
    n-hexanol 260.52
    2-methoxyethanol 545.66
    isobutyl acetate 94.93
    tetrachloromethane 17.75
    n-pentyl acetate 61.97
    transcutol 666.3
    n-heptanol 81.39
    ethylbenzene 37.56
    MIBK 153.21
    2-propoxyethanol 435.22
    tert-butanol 401.59
    MTBE 232.18
    2-butoxyethanol 157.39
    propionic acid 202.52
    o-xylene 42.52
    formic acid 102.65
    diethyl ether 202.1
    m-xylene 65.39
    p-xylene 43.75
    chlorobenzene 54.2
    dimethyl carbonate 85.0
    n-octane 2.7
    formamide 191.59
    cyclopentanone 388.72
    2-pentanone 258.33
    anisole 132.59
    cyclopentyl methyl ether 248.82
    gamma-butyrolactone 374.73
    1-methoxy-2-propanol 437.05
    pyridine 156.15
    3-pentanone 171.81
    furfural 217.43
    n-dodecane 2.29
    diethylene glycol 320.04
    diisopropyl ether 56.75
    tert-amyl alcohol 261.35
    acetylacetone 229.44
    n-hexadecane 2.62
    acetophenone 99.9
    methyl propionate 254.76
    isopentyl acetate 138.55
    trichloroethylene 208.84
    n-nonanol 56.02
    cyclohexanol 146.71
    benzyl alcohol 117.26
    2-ethylhexanol 101.8
    isooctanol 62.21
    dipropyl ether 92.69
    1,2-dichlorobenzene 49.83
    ethyl lactate 77.08
    propylene carbonate 160.98
    n-methylformamide 339.87
    2-pentanol 167.71
    n-pentane 6.35
    1-propoxy-2-propanol 265.0
    1-methoxy-2-propyl acetate 198.17
    2-(2-methoxypropoxy) propanol 143.62
    mesitylene 34.53
    ε-caprolactone 208.59
    p-cymene 24.18
    epichlorohydrin 367.89
    1,1,1-trichloroethane 90.65
    2-aminoethanol 295.77
    morpholine-4-carbaldehyde 415.1
    sulfolane 409.84
    2,2,4-trimethylpentane 6.3
    2-methyltetrahydrofuran 345.29
    n-hexyl acetate 99.11
    isooctane 6.88
    2-(2-butoxyethoxy)ethanol 215.37
    sec-butyl acetate 94.83
    tert-butyl acetate 179.12
    decalin 7.21
    glycerin 226.35
    diglyme 331.63
    acrylic acid 133.8
    isopropyl myristate 38.23
    n-butyric acid 218.79
    acetyl acetate 82.92
    di(2-ethylhexyl) phthalate 42.46
    ethyl propionate 115.83
    nitromethane 320.11
    1,2-diethoxyethane 168.95
    benzonitrile 83.72
    trioctyl phosphate 32.82
    1-bromopropane 59.56
    gamma-valerolactone 459.62
    n-decanol 43.03
    triethyl phosphate 44.54
    4-methyl-2-pentanol 111.88
    propionitrile 163.81
    vinylene carbonate 114.37
    1,1,2-trichlorotrifluoroethane 230.12
    DMS 81.29
    cumene 31.06
    2-octanol 46.31
    2-hexanone 169.56
    octyl acetate 52.05
    limonene 35.92
    1,2-dimethoxyethane 374.78
    ethyl orthosilicate 46.12
    tributyl phosphate 40.62
    diacetone alcohol 289.03
    N,N-dimethylaniline 88.52
    acrylonitrile 171.94
    aniline 128.39
    1,3-propanediol 294.93
    bromobenzene 43.89
    dibromomethane 59.08
    1,1,2,2-tetrachloroethane 190.26
    2-methyl-cyclohexyl acetate 77.38
    tetrabutyl urea 56.15
    diisobutyl methanol 49.31
    2-phenylethanol 128.69
    styrene 39.86
    dioctyl adipate 56.05
    dimethyl sulfate 142.05
    ethyl butyrate 90.67
    methyl lactate 125.07
    butyl lactate 74.79
    diethyl carbonate 55.03
    propanediol butyl ether 147.15
    triethyl orthoformate 63.99
    p-tert-butyltoluene 26.6
    methyl 4-tert-butylbenzoate 91.97
    morpholine 591.26
    tert-butylamine 189.98
    n-dodecanol 31.67
    dimethoxymethane 377.1
    ethylene carbonate 105.11
    cyrene 134.37
    2-ethoxyethyl acetate 105.01
    2-ethylhexyl acetate 98.68
    1,2,4-trichlorobenzene 65.58
    4-methylpyridine 188.06
    dibutyl ether 55.74
    2,6-dimethyl-4-heptanol 49.31
    DEF 275.83
    dimethyl isosorbide 225.63
    tetrachloroethylene 102.55
    eugenol 103.62
    triacetin 85.75
    span 80 112.17
    1,4-butanediol 138.96
    1,1-dichloroethane 110.59
    2-methyl-1-pentanol 164.29
    methyl formate 181.64
    2-methyl-1-butanol 179.46
    n-decane 3.87
    butyronitrile 158.6
    3,7-dimethyl-1-octanol 68.7
    1-chlorooctane 24.19
    1-chlorotetradecane 9.22
    n-nonane 3.62
    undecane 2.91
    tert-butylcyclohexane 10.6
    cyclooctane 2.22
    cyclopentanol 176.41
    tetrahydropyran 284.28
    tert-amyl methyl ether 160.43
    2,5,8-trioxanonane 226.64
    1-hexene 93.96
    2-isopropoxyethanol 231.05
    2,2,2-trifluoroethanol 58.58
    methyl butyrate 140.89

    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