m-Methylbenzyl acetate

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  • Identifiers

    CAS number
    17369-57-2

    Molecular formula
    C10H12O2

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

  • Odor profile

    Fragrance
    Fruity 95.52%
    Sweet 87.89%
    Floral 76.09%
    Cherry 58.77%
    Fresh 38.82%
    Green 35.51%
    Jasmin 35.06%
    Anisic 34.52%
    Balsamic 33.96%
    Berry 33.55%

     

    Flavor
    Sweet 90.78%
    Fruity 79.77%
    Floral 69.29%
    Cherry 54.95%
    Balsam 51.09%
    Bitter 44.31%
    Powdery 41.73%
    Raspberry 40.64%
    Spicy 38.97%
    Plum 38.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.7 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 226 °C

    Boiling point

    • 221.00 to 223.00 °C. @ 760.00 mm Hg

    Flash point

    • 104.47 ˚C est.

  • Synonyms

    • m-Methylbenzyl acetate
    • 3-methylbenzyl acetate
    • (3-methylphenyl)methyl acetate
    • 17369-57-2
    • Benzenemethanol, 3-methyl-, acetate
    • T1J7W77U7V
    • EINECS 241-401-2
    • AI3-21554
    • M-(ACETOXYMETHYL)TOLUENE
    • DTXSID60169642
    • FEMA NO. 3702, M
    • BENZYL ALCOHOL, M-METHYL-, ACETATE
    • ACETIC ACID, (3-METHYLPHENYL)METHYL ESTER
    • meta-methyl benzyl acetate
    • UNII-T1J7W77U7V
    • SCHEMBL6903259
    • DTXCID3092133
    • CHEBI:180405
    • AKOS006242072
    • NS00025705
    • Q27289544
    • 241-401-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 523.73
    methanol 692.39
    isopropanol 309.44
    water 7.37
    ethyl acetate 273.97
    n-propanol 327.11
    acetone 420.77
    n-butanol 273.65
    acetonitrile 333.63
    DMF 939.25
    toluene 124.0
    isobutanol 207.14
    1,4-dioxane 703.46
    methyl acetate 351.55
    THF 429.98
    2-butanone 327.79
    n-pentanol 204.51
    sec-butanol 242.94
    n-hexane 23.43
    ethylene glycol 220.05
    NMP 476.96
    cyclohexane 15.26
    DMSO 609.71
    n-butyl acetate 130.57
    n-octanol 64.32
    chloroform 739.34
    n-propyl acetate 125.44
    acetic acid 423.3
    dichloromethane 536.35
    cyclohexanone 266.45
    propylene glycol 245.38
    isopropyl acetate 136.18
    DMAc 914.19
    2-ethoxyethanol 437.16
    isopentanol 232.21
    n-heptane 6.85
    ethyl formate 169.75
    1,2-dichloroethane 379.03
    n-hexanol 165.23
    2-methoxyethanol 652.75
    isobutyl acetate 90.04
    tetrachloromethane 69.24
    n-pentyl acetate 66.62
    transcutol 1127.9
    n-heptanol 62.5
    ethylbenzene 79.32
    MIBK 136.52
    2-propoxyethanol 345.44
    tert-butanol 389.24
    MTBE 277.66
    2-butoxyethanol 155.76
    propionic acid 292.24
    o-xylene 82.63
    formic acid 316.35
    diethyl ether 294.73
    m-xylene 81.72
    p-xylene 90.17
    chlorobenzene 173.01
    dimethyl carbonate 138.29
    n-octane 2.75
    formamide 400.24
    cyclopentanone 284.71
    2-pentanone 195.66
    anisole 257.06
    cyclopentyl methyl ether 192.28
    gamma-butyrolactone 334.25
    1-methoxy-2-propanol 403.49
    pyridine 379.21
    3-pentanone 176.28
    furfural 395.03
    n-dodecane 2.67
    diethylene glycol 335.4
    diisopropyl ether 59.36
    tert-amyl alcohol 283.69
    acetylacetone 244.63
    n-hexadecane 3.11
    acetophenone 180.91
    methyl propionate 239.2
    isopentyl acetate 130.9
    trichloroethylene 716.51
    n-nonanol 56.27
    cyclohexanol 151.96
    benzyl alcohol 195.03
    2-ethylhexanol 83.91
    isooctanol 49.92
    dipropyl ether 80.7
    1,2-dichlorobenzene 169.69
    ethyl lactate 94.89
    propylene carbonate 193.34
    n-methylformamide 385.17
    2-pentanol 147.72
    n-pentane 12.96
    1-propoxy-2-propanol 184.67
    1-methoxy-2-propyl acetate 175.2
    2-(2-methoxypropoxy) propanol 195.08
    mesitylene 46.81
    ε-caprolactone 249.01
    p-cymene 36.05
    epichlorohydrin 528.26
    1,1,1-trichloroethane 285.5
    2-aminoethanol 340.41
    morpholine-4-carbaldehyde 598.94
    sulfolane 392.51
    2,2,4-trimethylpentane 12.23
    2-methyltetrahydrofuran 326.71
    n-hexyl acetate 119.64
    isooctane 7.58
    2-(2-butoxyethoxy)ethanol 263.59
    sec-butyl acetate 101.48
    tert-butyl acetate 166.12
    decalin 16.57
    glycerin 323.65
    diglyme 473.8
    acrylic acid 279.91
    isopropyl myristate 45.51
    n-butyric acid 245.49
    acetyl acetate 167.76
    di(2-ethylhexyl) phthalate 61.48
    ethyl propionate 126.97
    nitromethane 605.56
    1,2-diethoxyethane 224.89
    benzonitrile 165.86
    trioctyl phosphate 35.61
    1-bromopropane 187.8
    gamma-valerolactone 487.53
    n-decanol 40.08
    triethyl phosphate 65.8
    4-methyl-2-pentanol 90.57
    propionitrile 228.26
    vinylene carbonate 203.3
    1,1,2-trichlorotrifluoroethane 470.43
    DMS 153.95
    cumene 53.9
    2-octanol 36.06
    2-hexanone 154.23
    octyl acetate 58.75
    limonene 49.3
    1,2-dimethoxyethane 545.27
    ethyl orthosilicate 65.35
    tributyl phosphate 52.65
    diacetone alcohol 230.57
    N,N-dimethylaniline 155.86
    acrylonitrile 276.26
    aniline 221.39
    1,3-propanediol 352.93
    bromobenzene 162.76
    dibromomethane 334.91
    1,1,2,2-tetrachloroethane 603.94
    2-methyl-cyclohexyl acetate 96.08
    tetrabutyl urea 69.68
    diisobutyl methanol 44.85
    2-phenylethanol 146.17
    styrene 108.66
    dioctyl adipate 77.22
    dimethyl sulfate 224.38
    ethyl butyrate 95.41
    methyl lactate 153.46
    butyl lactate 77.35
    diethyl carbonate 82.41
    propanediol butyl ether 175.32
    triethyl orthoformate 81.54
    p-tert-butyltoluene 37.02
    methyl 4-tert-butylbenzoate 129.48
    morpholine 742.87
    tert-butylamine 214.19
    n-dodecanol 29.58
    dimethoxymethane 375.29
    ethylene carbonate 162.38
    cyrene 178.27
    2-ethoxyethyl acetate 142.4
    2-ethylhexyl acetate 104.25
    1,2,4-trichlorobenzene 223.78
    4-methylpyridine 360.03
    dibutyl ether 73.44
    2,6-dimethyl-4-heptanol 44.85
    DEF 293.75
    dimethyl isosorbide 253.15
    tetrachloroethylene 351.26
    eugenol 144.1
    triacetin 150.83
    span 80 135.79
    1,4-butanediol 161.92
    1,1-dichloroethane 347.19
    2-methyl-1-pentanol 182.85
    methyl formate 243.93
    2-methyl-1-butanol 209.55
    n-decane 4.74
    butyronitrile 196.35
    3,7-dimethyl-1-octanol 77.01
    1-chlorooctane 32.67
    1-chlorotetradecane 12.22
    n-nonane 4.24
    undecane 3.4
    tert-butylcyclohexane 17.83
    cyclooctane 5.22
    cyclopentanol 149.44
    tetrahydropyran 356.89
    tert-amyl methyl ether 206.3
    2,5,8-trioxanonane 323.07
    1-hexene 97.36
    2-isopropoxyethanol 252.32
    2,2,2-trifluoroethanol 170.98
    methyl butyrate 159.59

    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