Phenylacetic acid, 2-methylphenyl ester

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  • Identifiers

    CAS number
    2491-29-4

    Molecular formula
    C15H14O2

    SMILES
    CC1=CC=CC=C1OC(=O)CC2=CC=CC=C2

  • Odor profile

    Fragrance
    Floral 79.86%
    Honey 72.89%
    Rose 52.88%
    Animal 50.47%
    Phenolic 50.34%
    Balsamic 50.28%
    Sweet 46.99%
    Powdery 39.59%
    Aromatic 35.19%
    Spicy 32.49%

     

    Flavor
    Sweet 90.98%
    Floral 68.76%
    Honey 60.95%
    Balsam 55.43%
    Rose 45.48%
    Chocolate 36.4%
    Balsamic 34.95%
    Powdery 34.89%
    Flower 34.05%
    Waxy 32.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.01 (weak base)

    Molecular weight
    226.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 155.43 ˚C est.

  • Synonyms

    • Phenylacetic acid, 2-methylphenyl ester
    • benzeneacetic acid,2-methylphenyl ester
    • o-cresyl phenylacetate
    • 2491-29-4
    • SCHEMBL2639771

  • Applications

    Phenylacetic acid, 2-methylphenyl ester (CAS 2491-29-4) is mainly used as a fragrance ingredient, delivering floral-woody notes in perfumery and cosmetic formulations; it can also function as a flavor/aroma component in select flavor formulations. It serves as an intermediate in organic synthesis, providing a building block for more complex fragrance molecules and acting as a precursor in pharmaceutical, agrochemical, and specialty polymer syntheses. In household products, it appears as a fragrance additive in air fresheners and cleaning formulations. It may also find limited use as a processing aid or formulation additive in niche specialty formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 103.82
    methanol 126.07
    isopropanol 52.31
    water 0.12
    ethyl acetate 230.21
    n-propanol 76.29
    acetone 309.0
    n-butanol 66.67
    acetonitrile 199.26
    DMF 689.28
    toluene 56.91
    isobutanol 44.64
    1,4-dioxane 433.53
    methyl acetate 259.81
    THF 486.96
    2-butanone 262.25
    n-pentanol 57.89
    sec-butanol 51.18
    n-hexane 7.51
    ethylene glycol 21.43
    NMP 252.0
    cyclohexane 7.56
    DMSO 474.29
    n-butyl acetate 177.97
    n-octanol 35.95
    chloroform 655.56
    n-propyl acetate 146.66
    acetic acid 136.04
    dichloromethane 608.4
    cyclohexanone 268.47
    propylene glycol 32.1
    isopropyl acetate 134.14
    DMAc 625.91
    2-ethoxyethanol 139.74
    isopentanol 68.99
    n-heptane 6.38
    ethyl formate 120.91
    1,2-dichloroethane 553.79
    n-hexanol 78.26
    2-methoxyethanol 223.72
    isobutyl acetate 103.84
    tetrachloromethane 21.7
    n-pentyl acetate 74.23
    transcutol 702.75
    n-heptanol 37.82
    ethylbenzene 64.82
    MIBK 125.94
    2-propoxyethanol 186.1
    tert-butanol 88.31
    MTBE 118.03
    2-butoxyethanol 97.22
    propionic acid 100.55
    o-xylene 45.62
    formic acid 38.54
    diethyl ether 159.94
    m-xylene 45.51
    p-xylene 76.23
    chlorobenzene 163.0
    dimethyl carbonate 142.49
    n-octane 4.04
    formamide 110.62
    cyclopentanone 372.63
    2-pentanone 182.99
    anisole 206.44
    cyclopentyl methyl ether 122.61
    gamma-butyrolactone 366.3
    1-methoxy-2-propanol 171.52
    pyridine 276.93
    3-pentanone 172.75
    furfural 324.36
    n-dodecane 5.29
    diethylene glycol 132.83
    diisopropyl ether 39.82
    tert-amyl alcohol 73.71
    acetylacetone 297.63
    n-hexadecane 6.11
    acetophenone 165.16
    methyl propionate 199.66
    isopentyl acetate 155.14
    trichloroethylene 820.28
    n-nonanol 38.43
    cyclohexanol 49.79
    benzyl alcohol 98.74
    2-ethylhexanol 57.07
    isooctanol 35.35
    dipropyl ether 87.44
    1,2-dichlorobenzene 175.47
    ethyl lactate 69.73
    propylene carbonate 200.82
    n-methylformamide 178.62
    2-pentanol 41.79
    n-pentane 3.12
    1-propoxy-2-propanol 122.89
    1-methoxy-2-propyl acetate 184.24
    2-(2-methoxypropoxy) propanol 138.44
    mesitylene 32.7
    ε-caprolactone 205.74
    p-cymene 36.16
    epichlorohydrin 576.62
    1,1,1-trichloroethane 247.22
    2-aminoethanol 53.2
    morpholine-4-carbaldehyde 316.13
    sulfolane 367.41
    2,2,4-trimethylpentane 5.32
    2-methyltetrahydrofuran 201.58
    n-hexyl acetate 113.44
    isooctane 4.68
    2-(2-butoxyethoxy)ethanol 181.85
    sec-butyl acetate 108.32
    tert-butyl acetate 143.25
    decalin 12.36
    glycerin 54.08
    diglyme 375.85
    acrylic acid 96.84
    isopropyl myristate 53.13
    n-butyric acid 134.46
    acetyl acetate 170.63
    di(2-ethylhexyl) phthalate 52.48
    ethyl propionate 143.08
    nitromethane 433.93
    1,2-diethoxyethane 223.87
    benzonitrile 135.05
    trioctyl phosphate 33.72
    1-bromopropane 167.27
    gamma-valerolactone 405.12
    n-decanol 31.36
    triethyl phosphate 68.12
    4-methyl-2-pentanol 40.23
    propionitrile 139.38
    vinylene carbonate 203.95
    1,1,2-trichlorotrifluoroethane 237.2
    DMS 162.78
    cumene 44.67
    2-octanol 25.98
    2-hexanone 155.08
    octyl acetate 63.4
    limonene 46.25
    1,2-dimethoxyethane 352.36
    ethyl orthosilicate 62.72
    tributyl phosphate 48.57
    diacetone alcohol 147.07
    N,N-dimethylaniline 108.0
    acrylonitrile 210.85
    aniline 86.6
    1,3-propanediol 80.83
    bromobenzene 167.52
    dibromomethane 348.5
    1,1,2,2-tetrachloroethane 642.56
    2-methyl-cyclohexyl acetate 99.89
    tetrabutyl urea 66.7
    diisobutyl methanol 38.35
    2-phenylethanol 100.52
    styrene 90.99
    dioctyl adipate 85.69
    dimethyl sulfate 197.71
    ethyl butyrate 132.04
    methyl lactate 94.18
    butyl lactate 65.05
    diethyl carbonate 100.72
    propanediol butyl ether 76.87
    triethyl orthoformate 85.11
    p-tert-butyltoluene 34.63
    methyl 4-tert-butylbenzoate 122.76
    morpholine 364.65
    tert-butylamine 48.66
    n-dodecanol 25.97
    dimethoxymethane 340.1
    ethylene carbonate 162.34
    cyrene 111.86
    2-ethoxyethyl acetate 137.62
    2-ethylhexyl acetate 119.87
    1,2,4-trichlorobenzene 183.27
    4-methylpyridine 206.0
    dibutyl ether 80.23
    2,6-dimethyl-4-heptanol 38.35
    DEF 222.99
    dimethyl isosorbide 228.7
    tetrachloroethylene 282.24
    eugenol 119.97
    triacetin 142.16
    span 80 87.74
    1,4-butanediol 30.21
    1,1-dichloroethane 324.43
    2-methyl-1-pentanol 68.01
    methyl formate 155.29
    2-methyl-1-butanol 56.01
    n-decane 7.27
    butyronitrile 121.62
    3,7-dimethyl-1-octanol 50.02
    1-chlorooctane 36.56
    1-chlorotetradecane 18.67
    n-nonane 6.12
    undecane 6.05
    tert-butylcyclohexane 11.97
    cyclooctane 2.66
    cyclopentanol 55.01
    tetrahydropyran 245.53
    tert-amyl methyl ether 90.72
    2,5,8-trioxanonane 269.78
    1-hexene 50.88
    2-isopropoxyethanol 106.81
    2,2,2-trifluoroethanol 51.14
    methyl butyrate 187.11

    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