Acetic acid, 3-methylphenyl ester

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  • Identifiers

    CAS number
    122-46-3

    Molecular formula
    C9H10O2

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

  • Odor profile

    Fragrance
    Floral 76.29%
    Phenolic 65.76%
    Animal 57.28%
    Woody 39.72%
    Fruity 38.59%
    Honey 38.58%
    Medicinal 35.18%
    Aromatic 34.53%
    Powdery 33.14%
    Dry 31.08%

     

    Flavor
    Sweet 86.79%
    Woody 61.15%
    Floral 55.94%
    Powdery 41.18%
    Spice 37.24%
    Clove 36.26%
    Phenolic 35.78%
    Balsam 34.41%
    Tobacco 33.81%
    Herbal 32.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.08 (weak base)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point

    • 97.28 ˚C est.

  • Synonyms

    • M-TOLYL ACETATE
    • m-Cresyl acetate
    • 122-46-3
    • Cresatin
    • 3-Methylphenyl acetate
    • m-Acetoxytoluene
    • Acetic acid, 3-methylphenyl ester
    • m-Cresol acetate
    • Acetic acid m-tolyl ester
    • Metacresol acetate
    • Cresatin-Sulzberger
    • Kresatin
    • m-Methylphenyl acetate
    • Acetic acid 3-methylphenyl ester
    • Acetylmetacresol
    • Acetic acid, m-tolyl ester
    • Cresatin Metacresylacetate
    • 3-Acetoxytoluene
    • Acetic acid m-cresol ester
    • Acetic Acid m-Cresyl Ester
    • 3-Methylphenol acetate
    • NSC 4795
    • 73UDH1DF0R
    • DTXSID7046041
    • NSC-4795
    • NCGC00159365-02
    • NCGC00159365-04
    • DTXCID5026041
    • (3-methylphenyl) acetate
    • CAS-122-46-3
    • meta-Cresyl acetate
    • UNII-73UDH1DF0R
    • CRESYL ACETATE, M-
    • 3-Tolyl acetate
    • Acetic acid, m-methylphenyl ester
    • meta-cresyl-acetate
    • 3-Methylphenyl ester of acetic acid
    • EINECS 204-546-2
    • AI3-04169
    • METACRESYL ACETATE
    • m-Tolyl acetate, 97%
    • META-CRESOL ACETATE
    • bmse000736
    • m-Cresol acetic acid ester
    • SCHEMBL280618
    • M-CRESYL ACETATE [MI]
    • CHEMBL447986
    • NSC4795
    • CHEBI:134772
    • HMS3264O10
    • METACRESYL ACETATE [VANDF]
    • Pharmakon1600-01506049
    • HY-B0948
    • Tox21_111606
    • MFCD00041910
    • NSC759321
    • s4573
    • AKOS015995365
    • Tox21_111606_1
    • CCG-213991
    • NSC-759321
    • NCGC00159365-03
    • AS-61317
    • SBI-0207077.P001
    • DB-041671
    • A0659
    • NS00012122
    • I10260
    • AB01563372_01
    • A804900
    • SR-01000872755
    • SR-01000872755-1
    • BRD-K33442414-001-01-8
    • BRD-K33442414-001-02-6
    • Q27266207
    • InChI=1/C9H10O2/c1-7-4-3-5-9(6-7)11-8(2)10/h3-6H,1-2H

  • Applications

    Acetic acid, 3-methylphenyl ester (CAS number: 122-46-3) is used in perfumery as a fragrance ingredient, providing or stabilizing notes and can act as a fixative in formulations. It also serves as a solvent or carrier in cosmetics and household products, enabling dissolution and blending of actives. In coatings, inks and adhesives, it is used as a processing solvent and intermediate. In industrial manufacturing, it is a chemical intermediate for the synthesis of specialty chemicals, including dyes and polymer materials. It may appear as a solvent or processing aid in cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 520.24
    methanol 734.32
    isopropanol 356.94
    water 8.94
    ethyl acetate 353.52
    n-propanol 322.8
    acetone 617.04
    n-butanol 295.96
    acetonitrile 538.46
    DMF 956.33
    toluene 100.16
    isobutanol 226.81
    1,4-dioxane 880.39
    methyl acetate 381.03
    THF 1012.1
    2-butanone 304.44
    n-pentanol 185.1
    sec-butanol 272.56
    n-hexane 42.25
    ethylene glycol 189.78
    NMP 648.19
    cyclohexane 72.52
    DMSO 740.48
    n-butyl acetate 190.54
    n-octanol 168.46
    chloroform 613.95
    n-propyl acetate 183.6
    acetic acid 516.46
    dichloromethane 609.91
    cyclohexanone 431.79
    propylene glycol 213.32
    isopropyl acetate 171.29
    DMAc 674.34
    2-ethoxyethanol 290.71
    isopentanol 203.17
    n-heptane 38.17
    ethyl formate 300.0
    1,2-dichloroethane 294.66
    n-hexanol 257.65
    2-methoxyethanol 626.44
    isobutyl acetate 107.45
    tetrachloromethane 66.71
    n-pentyl acetate 120.99
    transcutol 784.41
    n-heptanol 103.5
    ethylbenzene 84.91
    MIBK 162.8
    2-propoxyethanol 416.88
    tert-butanol 422.27
    MTBE 246.08
    2-butoxyethanol 175.56
    propionic acid 295.06
    o-xylene 88.77
    formic acid 185.52
    diethyl ether 332.09
    m-xylene 89.74
    p-xylene 104.38
    chlorobenzene 150.83
    dimethyl carbonate 215.17
    n-octane 16.6
    formamide 287.58
    cyclopentanone 512.34
    2-pentanone 285.14
    anisole 252.34
    cyclopentyl methyl ether 326.95
    gamma-butyrolactone 634.41
    1-methoxy-2-propanol 444.73
    pyridine 283.33
    3-pentanone 213.99
    furfural 487.51
    n-dodecane 22.25
    diethylene glycol 353.28
    diisopropyl ether 83.02
    tert-amyl alcohol 292.2
    acetylacetone 357.31
    n-hexadecane 24.47
    acetophenone 189.69
    methyl propionate 305.69
    isopentyl acetate 146.07
    trichloroethylene 490.84
    n-nonanol 143.75
    cyclohexanol 268.65
    benzyl alcohol 173.9
    2-ethylhexanol 131.34
    isooctanol 80.08
    dipropyl ether 192.05
    1,2-dichlorobenzene 153.23
    ethyl lactate 132.72
    propylene carbonate 363.33
    n-methylformamide 432.24
    2-pentanol 182.63
    n-pentane 41.48
    1-propoxy-2-propanol 251.6
    1-methoxy-2-propyl acetate 227.75
    2-(2-methoxypropoxy) propanol 247.14
    mesitylene 60.78
    ε-caprolactone 360.27
    p-cymene 65.57
    epichlorohydrin 569.1
    1,1,1-trichloroethane 272.64
    2-aminoethanol 274.25
    morpholine-4-carbaldehyde 702.78
    sulfolane 596.79
    2,2,4-trimethylpentane 20.64
    2-methyltetrahydrofuran 509.96
    n-hexyl acetate 240.18
    isooctane 15.46
    2-(2-butoxyethoxy)ethanol 327.74
    sec-butyl acetate 111.54
    tert-butyl acetate 186.1
    decalin 33.94
    glycerin 259.77
    diglyme 539.97
    acrylic acid 260.45
    isopropyl myristate 112.16
    n-butyric acid 314.56
    acetyl acetate 263.2
    di(2-ethylhexyl) phthalate 107.88
    ethyl propionate 206.31
    nitromethane 784.46
    1,2-diethoxyethane 260.76
    benzonitrile 211.43
    trioctyl phosphate 83.38
    1-bromopropane 189.01
    gamma-valerolactone 647.47
    n-decanol 116.47
    triethyl phosphate 101.14
    4-methyl-2-pentanol 97.97
    propionitrile 294.35
    vinylene carbonate 355.53
    1,1,2-trichlorotrifluoroethane 326.81
    DMS 241.02
    cumene 67.5
    2-octanol 85.02
    2-hexanone 184.55
    octyl acetate 146.89
    limonene 97.78
    1,2-dimethoxyethane 604.16
    ethyl orthosilicate 92.1
    tributyl phosphate 102.74
    diacetone alcohol 248.76
    N,N-dimethylaniline 166.16
    acrylonitrile 346.03
    aniline 168.89
    1,3-propanediol 316.36
    bromobenzene 137.41
    dibromomethane 358.14
    1,1,2,2-tetrachloroethane 379.47
    2-methyl-cyclohexyl acetate 149.15
    tetrabutyl urea 144.44
    diisobutyl methanol 73.17
    2-phenylethanol 179.99
    styrene 103.71
    dioctyl adipate 167.51
    dimethyl sulfate 288.83
    ethyl butyrate 179.25
    methyl lactate 199.79
    butyl lactate 118.0
    diethyl carbonate 150.91
    propanediol butyl ether 221.14
    triethyl orthoformate 124.07
    p-tert-butyltoluene 64.05
    methyl 4-tert-butylbenzoate 200.5
    morpholine 822.75
    tert-butylamine 247.13
    n-dodecanol 94.49
    dimethoxymethane 660.74
    ethylene carbonate 296.06
    cyrene 218.69
    2-ethoxyethyl acetate 193.86
    2-ethylhexyl acetate 118.59
    1,2,4-trichlorobenzene 170.92
    4-methylpyridine 291.44
    dibutyl ether 164.45
    2,6-dimethyl-4-heptanol 73.17
    DEF 356.88
    dimethyl isosorbide 371.58
    tetrachloroethylene 206.33
    eugenol 195.5
    triacetin 254.72
    span 80 222.48
    1,4-butanediol 144.05
    1,1-dichloroethane 301.92
    2-methyl-1-pentanol 153.2
    methyl formate 426.82
    2-methyl-1-butanol 202.6
    n-decane 31.21
    butyronitrile 303.51
    3,7-dimethyl-1-octanol 139.93
    1-chlorooctane 103.4
    1-chlorotetradecane 52.23
    n-nonane 30.21
    undecane 25.85
    tert-butylcyclohexane 32.1
    cyclooctane 21.45
    cyclopentanol 298.62
    tetrahydropyran 584.96
    tert-amyl methyl ether 189.44
    2,5,8-trioxanonane 434.21
    1-hexene 123.05
    2-isopropoxyethanol 198.61
    2,2,2-trifluoroethanol 166.75
    methyl butyrate 259.77

    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