p-Tolylacetic acid

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  • Identifiers

    CAS number
    622-47-9

    Molecular formula
    C9H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 87.04%
    Honey 78.8%
    Sweet 75.46%
    Rose 57.8%
    Powdery 50.37%
    Waxy 47.31%
    Animal 45.11%
    Balsamic 43.25%
    Phenolic 33.8%
    Fatty 33.39%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    277°C

    Flash point est.
    131.36 ˚C

  • Synonyms

    • p-Tolylacetic acid
    • 622-47-9
    • 4-Methylphenylacetic acid
    • 2-(p-Tolyl)acetic acid
    • 2-(4-methylphenyl)acetic acid
    • 4-Tolylacetic acid
    • p-Methylphenylacetic acid
    • (p-Tolyl)acetic acid
    • Benzeneacetic acid, 4-methyl-
    • Acetic acid, (p-tolyl)-
    • (4-Methylphenyl)acetic acid
    • 4-Methylbenzeneacetic acid
    • p-Tolyacetic acid
    • MFCD00004353
    • EINECS 210-738-7
    • NSC 65595
    • BRN 2043528
    • E6YY73A4AE
    • AI3-20876
    • DTXSID80211238
    • 4-09-00-01795 (Beilstein Handbook Reference)
    • NSC-65595
    • 2-p-tolylacetic acid
    • p-Toluylessigsaure
    • p-tolyl acetic acid
    • p-tolyl-acetic acid
    • 2-(p-Tolyl)aceticacid
    • 4methylphenylacetic acid
    • Maybridge1_005217
    • p-Methylbenzeneacetic acid
    • (4-methylphenyl)aceticacid
    • 4-methyl phenylacetic acid
    • 4-methylphenyl acetic acid
    • 4-methylphenyl-acetic acid
    • UNII-E6YY73A4AE
    • NCIOpen2_000147
    • SCHEMBL92022
    • acetic acid, 2-(p-tolyl)-
    • ghl.PD_Mitscher_leg0.1068
    • HMS556F03
    • DTXCID80133729
    • NSC65595
    • STR02279
    • CCG-44293
    • STL168982
    • AKOS000121283
    • CS-W008979
    • FS-1025
    • FT52494
    • AC-13075
    • BP-11242
    • MB 00106
    • SY013543
    • p-Tolylacetic acid, ReagentPlus(R), 99%
    • DB-054105
    • DB-306099
    • NS00034976
    • p-Tolylacetic acid, purum, >=98.0% (T)
    • T0882
    • EN300-21656
    • AC-509/25002068
    • p-Tolylacetic acid, Vetec(TM) reagent grade, 98%
    • SR-01000634138-1
    • F0001-1661
    • Z104507548
    • 210-738-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.8
    methanol 177.61
    isopropanol 82.31
    water 8.75
    ethyl acetate 52.52
    n-propanol 101.26
    acetone 136.16
    n-butanol 77.38
    acetonitrile 34.62
    DMF 224.08
    toluene 9.56
    isobutanol 64.95
    1,4-dioxane 52.9
    methyl acetate 73.65
    THF 157.52
    2-butanone 112.91
    n-pentanol 68.98
    sec-butanol 83.24
    n-hexane 5.78
    ethylene glycol 94.76
    NMP 301.72
    cyclohexane 1.23
    DMSO 349.42
    n-butyl acetate 46.59
    n-octanol 33.88
    chloroform 19.9
    n-propyl acetate 41.23
    acetic acid 78.61
    dichloromethane 16.39
    cyclohexanone 79.18
    propylene glycol 120.47
    isopropyl acetate 34.49
    DMAc 298.35
    2-ethoxyethanol 130.42
    isopentanol 70.9
    n-heptane 3.02
    ethyl formate 39.81
    1,2-dichloroethane 23.8
    n-hexanol 82.92
    2-methoxyethanol 192.26
    isobutyl acetate 24.86
    tetrachloromethane 10.18
    n-pentyl acetate 27.49
    transcutol 291.45
    n-heptanol 36.54
    ethylbenzene 14.31
    MIBK 52.1
    2-propoxyethanol 149.35
    tert-butanol 118.2
    MTBE 51.23
    2-butoxyethanol 78.19
    propionic acid 103.6
    o-xylene 14.9
    formic acid 104.29
    diethyl ether 33.29
    m-xylene 14.46
    p-xylene 15.66
    chlorobenzene 12.96
    dimethyl carbonate 49.03
    n-octane 1.08
    formamide 145.71
    cyclopentanone 167.81
    2-pentanone 78.31
    anisole 55.43
    cyclopentyl methyl ether 70.62
    gamma-butyrolactone 173.24
    1-methoxy-2-propanol 158.51
    pyridine 34.94
    3-pentanone 59.99
    furfural 124.89
    n-dodecane 0.72
    diethylene glycol 152.84
    diisopropyl ether 13.55
    tert-amyl alcohol 112.04
    acetylacetone 78.22
    n-hexadecane 0.81
    acetophenone 55.67
    methyl propionate 74.49
    isopentyl acetate 44.7
    trichloroethylene 49.65
    n-nonanol 26.91
    cyclohexanol 41.13
    benzyl alcohol 47.22
    2-ethylhexanol 38.03
    isooctanol 27.49
    dipropyl ether 27.07
    1,2-dichlorobenzene 19.55
    ethyl lactate 46.28
    propylene carbonate 80.36
    n-methylformamide 148.91
    2-pentanol 55.09
    n-pentane 2.46
    1-propoxy-2-propanol 100.7
    1-methoxy-2-propyl acetate 74.31
    2-(2-methoxypropoxy) propanol 94.55
    mesitylene 10.02
    ε-caprolactone 78.73
    p-cymene 12.52
    epichlorohydrin 137.07
    1,1,1-trichloroethane 26.46
    2-aminoethanol 151.78
    morpholine-4-carbaldehyde 174.4
    sulfolane 288.92
    2,2,4-trimethylpentane 3.17
    2-methyltetrahydrofuran 111.36
    n-hexyl acetate 49.83
    isooctane 2.31
    2-(2-butoxyethoxy)ethanol 116.04
    sec-butyl acetate 28.74
    tert-butyl acetate 54.88
    decalin 2.86
    glycerin 159.18
    diglyme 171.48
    acrylic acid 94.53
    isopropyl myristate 16.15
    n-butyric acid 76.24
    acetyl acetate 27.19
    di(2-ethylhexyl) phthalate 24.39
    ethyl propionate 43.81
    nitromethane 143.67
    1,2-diethoxyethane 39.57
    benzonitrile 25.04
    trioctyl phosphate 18.57
    1-bromopropane 11.9
    gamma-valerolactone 166.51
    n-decanol 18.52
    triethyl phosphate 25.18
    4-methyl-2-pentanol 36.21
    propionitrile 37.29
    vinylene carbonate 52.1
    1,1,2-trichlorotrifluoroethane 149.61
    DMS 44.82
    cumene 14.06
    2-octanol 21.76
    2-hexanone 62.29
    octyl acetate 23.87
    limonene 15.62
    1,2-dimethoxyethane 120.78
    ethyl orthosilicate 23.45
    tributyl phosphate 21.49
    diacetone alcohol 112.65
    N,N-dimethylaniline 47.15
    acrylonitrile 48.6
    aniline 31.92
    1,3-propanediol 124.27
    bromobenzene 9.12
    dibromomethane 11.48
    1,1,2,2-tetrachloroethane 47.52
    2-methyl-cyclohexyl acetate 34.39
    tetrabutyl urea 32.49
    diisobutyl methanol 19.98
    2-phenylethanol 55.97
    styrene 12.0
    dioctyl adipate 28.16
    dimethyl sulfate 115.7
    ethyl butyrate 33.55
    methyl lactate 85.15
    butyl lactate 43.41
    diethyl carbonate 25.97
    propanediol butyl ether 99.52
    triethyl orthoformate 27.26
    p-tert-butyltoluene 12.36
    methyl 4-tert-butylbenzoate 59.11
    morpholine 85.54
    tert-butylamine 50.5
    n-dodecanol 12.24
    dimethoxymethane 103.51
    ethylene carbonate 40.02
    cyrene 97.28
    2-ethoxyethyl acetate 44.55
    2-ethylhexyl acetate 31.81
    1,2,4-trichlorobenzene 30.21
    4-methylpyridine 41.63
    dibutyl ether 17.29
    2,6-dimethyl-4-heptanol 19.98
    DEF 83.42
    dimethyl isosorbide 132.93
    tetrachloroethylene 36.83
    eugenol 68.34
    triacetin 48.99
    span 80 65.81
    1,4-butanediol 67.23
    1,1-dichloroethane 19.95
    2-methyl-1-pentanol 62.74
    methyl formate 98.02
    2-methyl-1-butanol 75.77
    n-decane 1.39
    butyronitrile 28.61
    3,7-dimethyl-1-octanol 31.56
    1-chlorooctane 9.09
    1-chlorotetradecane 2.83
    n-nonane 1.39
    undecane 0.98
    tert-butylcyclohexane 4.19
    cyclooctane 0.83
    cyclopentanol 67.35
    tetrahydropyran 38.65
    tert-amyl methyl ether 53.24
    2,5,8-trioxanonane 121.93
    1-hexene 19.63
    2-isopropoxyethanol 87.98
    2,2,2-trifluoroethanol 56.43
    methyl butyrate 55.48

    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