Phenol, 2-methoxy-4-methyl-, 1-acetate

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  • Identifiers

    CAS number
    879-67-4

    Molecular formula
    C10H12O3

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 68.48%
    Floral 66.4%
    Vanilla 60.84%
    Spicy 60.09%
    Phenolic 57.19%
    Woody 57.01%
    Fruity 54.13%
    Powdery 53.5%
    Balsamic 48.34%
    Clove 43.32%

     

    Flavor
    Sweet 87.98%
    Woody 76.7%
    Powdery 51.18%
    Spice 50.96%
    Clove 50.7%
    Vanilla 47.53%
    Floral 42.38%
    Spicy 42.05%
    Phenolic 41.34%
    Smoky 40.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.8 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 103.26 ˚C est.

  • Synonyms

    • 2-Methoxy-p-tolyl acetate
    • p-Cresol, 2-methoxy-, acetate
    • 2-Methoxy-p-cresol acetate
    • Phenol, 2-methoxy-4-methyl-, acetate
    • Phenol, 2-methoxy-4-methyl-, 1-acetate
    • EINECS 212-908-6
    • DTXSID90862457
    • RefChem:860856
    • DTXCID80811217
    • 212-908-6
    • 879-67-4
    • 2-methoxy-4-methylphenyl acetate
    • (2-methoxy-4-methylphenyl) acetate
    • creosol acetate
    • SCHEMBL171836
    • SCHEMBL4410176
    • OMYVQMNBUXUYLM-UHFFFAOYSA-N
    • MFCD30214972
    • NS00042237
    • 879-67-4

  • Applications

    Chemical name: Phenol, 2-methoxy-4-methyl-, 1-acetate; CAS 879-67-4. The compound is primarily used as an odorant and fragrance ingredient in perfumery and cosmetics, and serves as an organic synthesis intermediate for related phenyl esters and aroma compounds. In industrial manufacturing, it may be evaluated as a precursor for the synthesis of related fragrance-related materials and is occasionally formulated into household scented products (air fresheners) under applicable regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 258.65
    methanol 409.52
    isopropanol 210.07
    water 2.35
    ethyl acetate 255.27
    n-propanol 204.0
    acetone 464.03
    n-butanol 185.71
    acetonitrile 321.9
    DMF 690.0
    toluene 115.89
    isobutanol 151.16
    1,4-dioxane 526.98
    methyl acetate 347.19
    THF 591.18
    2-butanone 307.53
    n-pentanol 126.52
    sec-butanol 190.23
    n-hexane 19.7
    ethylene glycol 156.97
    NMP 428.6
    cyclohexane 33.89
    DMSO 659.47
    n-butyl acetate 156.32
    n-octanol 87.16
    chloroform 663.11
    n-propyl acetate 151.02
    acetic acid 302.18
    dichloromethane 672.63
    cyclohexanone 345.14
    propylene glycol 123.66
    isopropyl acetate 131.96
    DMAc 573.35
    2-ethoxyethanol 262.01
    isopentanol 151.28
    n-heptane 12.83
    ethyl formate 228.5
    1,2-dichloroethane 428.94
    n-hexanol 142.0
    2-methoxyethanol 482.79
    isobutyl acetate 95.76
    tetrachloromethane 86.86
    n-pentyl acetate 94.28
    transcutol 378.61
    n-heptanol 68.59
    ethylbenzene 92.95
    MIBK 125.18
    2-propoxyethanol 247.44
    tert-butanol 320.32
    MTBE 239.95
    2-butoxyethanol 121.29
    propionic acid 205.82
    o-xylene 101.77
    formic acid 143.11
    diethyl ether 208.95
    m-xylene 99.23
    p-xylene 121.09
    chlorobenzene 188.42
    dimethyl carbonate 149.8
    n-octane 8.65
    formamide 206.76
    cyclopentanone 414.56
    2-pentanone 210.17
    anisole 212.91
    cyclopentyl methyl ether 221.2
    gamma-butyrolactone 474.81
    1-methoxy-2-propanol 287.96
    pyridine 279.05
    3-pentanone 180.89
    furfural 418.57
    n-dodecane 10.42
    diethylene glycol 263.81
    diisopropyl ether 55.65
    tert-amyl alcohol 242.29
    acetylacetone 271.46
    n-hexadecane 11.79
    acetophenone 178.77
    methyl propionate 234.31
    isopentyl acetate 133.61
    trichloroethylene 673.88
    n-nonanol 73.65
    cyclohexanol 184.37
    benzyl alcohol 155.05
    2-ethylhexanol 88.12
    isooctanol 57.5
    dipropyl ether 87.11
    1,2-dichlorobenzene 183.5
    ethyl lactate 103.5
    propylene carbonate 268.7
    n-methylformamide 293.75
    2-pentanol 118.56
    n-pentane 16.73
    1-propoxy-2-propanol 149.8
    1-methoxy-2-propyl acetate 152.0
    2-(2-methoxypropoxy) propanol 144.68
    mesitylene 63.96
    ε-caprolactone 275.85
    p-cymene 52.94
    epichlorohydrin 525.5
    1,1,1-trichloroethane 361.66
    2-aminoethanol 171.67
    morpholine-4-carbaldehyde 444.07
    sulfolane 512.18
    2,2,4-trimethylpentane 15.15
    2-methyltetrahydrofuran 351.99
    n-hexyl acetate 155.28
    isooctane 10.23
    2-(2-butoxyethoxy)ethanol 166.24
    sec-butyl acetate 103.04
    tert-butyl acetate 154.11
    decalin 26.02
    glycerin 191.58
    diglyme 322.37
    acrylic acid 199.57
    isopropyl myristate 65.57
    n-butyric acid 219.38
    acetyl acetate 178.53
    di(2-ethylhexyl) phthalate 67.45
    ethyl propionate 146.97
    nitromethane 519.48
    1,2-diethoxyethane 141.94
    benzonitrile 183.71
    trioctyl phosphate 51.57
    1-bromopropane 208.66
    gamma-valerolactone 442.1
    n-decanol 57.74
    triethyl phosphate 79.3
    4-methyl-2-pentanol 72.75
    propionitrile 209.34
    vinylene carbonate 260.89
    1,1,2-trichlorotrifluoroethane 332.23
    DMS 157.77
    cumene 66.36
    2-octanol 56.31
    2-hexanone 148.28
    octyl acetate 83.53
    limonene 72.08
    1,2-dimethoxyethane 447.26
    ethyl orthosilicate 72.5
    tributyl phosphate 62.37
    diacetone alcohol 186.14
    N,N-dimethylaniline 140.39
    acrylonitrile 262.97
    aniline 161.11
    1,3-propanediol 229.62
    bromobenzene 195.41
    dibromomethane 418.29
    1,1,2,2-tetrachloroethane 528.78
    2-methyl-cyclohexyl acetate 107.33
    tetrabutyl urea 83.33
    diisobutyl methanol 52.33
    2-phenylethanol 136.78
    styrene 110.21
    dioctyl adipate 93.17
    dimethyl sulfate 248.61
    ethyl butyrate 119.28
    methyl lactate 138.44
    butyl lactate 81.9
    diethyl carbonate 102.85
    propanediol butyl ether 130.92
    triethyl orthoformate 86.94
    p-tert-butyltoluene 53.2
    methyl 4-tert-butylbenzoate 133.6
    morpholine 485.33
    tert-butylamine 167.02
    n-dodecanol 47.18
    dimethoxymethane 377.61
    ethylene carbonate 217.45
    cyrene 161.68
    2-ethoxyethyl acetate 129.49
    2-ethylhexyl acetate 107.94
    1,2,4-trichlorobenzene 217.97
    4-methylpyridine 291.47
    dibutyl ether 88.33
    2,6-dimethyl-4-heptanol 52.33
    DEF 253.66
    dimethyl isosorbide 219.54
    tetrachloroethylene 331.4
    eugenol 136.99
    triacetin 144.18
    span 80 105.6
    1,4-butanediol 106.33
    1,1-dichloroethane 375.66
    2-methyl-1-pentanol 123.55
    methyl formate 313.11
    2-methyl-1-butanol 153.61
    n-decane 15.43
    butyronitrile 212.69
    3,7-dimethyl-1-octanol 80.0
    1-chlorooctane 62.36
    1-chlorotetradecane 29.92
    n-nonane 15.24
    undecane 12.49
    tert-butylcyclohexane 24.47
    cyclooctane 11.39
    cyclopentanol 205.95
    tetrahydropyran 359.27
    tert-amyl methyl ether 172.76
    2,5,8-trioxanonane 228.63
    1-hexene 75.46
    2-isopropoxyethanol 170.87
    2,2,2-trifluoroethanol 143.86
    methyl butyrate 201.21

    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