Methyl 3,5-dimethylbenzoate

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  • Identifiers

    CAS number
    25081-39-4

    Molecular formula
    C10H12O2

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

  • Odor profile

    Fruity 72.02%
    Floral 57.26%
    Sweet 52.61%
    Cherry 35.94%
    Herbal 34.93%
    Green 31.98%
    Phenolic 31.57%
    Spicy 29.74%
    Powdery 29.16%
    Grape 28.42%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.76 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point est.
    95.22 ˚C

  • Synonyms

    • METHYL 3,5-DIMETHYLBENZOATE
    • 25081-39-4
    • Benzoic acid, 3,5-dimethyl-, methyl ester
    • MFCD00077971
    • 3,5-dimethylbenzoic acid methyl ester
    • 3,5-DIMETHYL-BENZOIC ACID METHYL ESTER
    • Methyl-3,5-dimethylbenzoate
    • methyl-3,5-dimethyl-benzoate
    • SCHEMBL334346
    • CHEMBL2252111
    • DTXSID90179774
    • Methyl 3,5-dimethylbenzoate, 98%
    • Methyl 3 pound not5-dimethylbenzoate
    • AKOS008904378
    • CS-W022816
    • DS-2817
    • 3,5-(CH3)2-C6H3-COOCH3
    • SY106375
    • DB-067312
    • F30111
    • Q63398588
    • Z18420985
    • InChI=1/C10H12O2/c1-7-4-8(2)6-9(5-7)10(11)12-3/h4-6H,1-3H

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 451.36
    methanol 558.99
    isopropanol 299.48
    water 0.85
    ethyl acetate 220.46
    n-propanol 338.93
    acetone 283.82
    n-butanol 348.04
    acetonitrile 296.42
    DMF 680.46
    toluene 263.32
    isobutanol 232.61
    1,4-dioxane 639.58
    methyl acetate 246.54
    THF 604.75
    2-butanone 296.44
    n-pentanol 254.73
    sec-butanol 261.06
    n-hexane 31.98
    ethylene glycol 103.61
    NMP 366.44
    cyclohexane 59.48
    DMSO 271.72
    n-butyl acetate 216.03
    n-octanol 156.73
    chloroform 735.46
    n-propyl acetate 153.48
    acetic acid 215.68
    dichloromethane 665.63
    cyclohexanone 360.48
    propylene glycol 100.88
    isopropyl acetate 118.32
    DMAc 366.0
    2-ethoxyethanol 295.52
    isopentanol 255.6
    n-heptane 41.44
    ethyl formate 247.16
    1,2-dichloroethane 363.34
    n-hexanol 330.21
    2-methoxyethanol 529.08
    isobutyl acetate 100.45
    tetrachloromethane 117.4
    n-pentyl acetate 127.57
    transcutol 409.83
    n-heptanol 153.64
    ethylbenzene 150.37
    MIBK 148.04
    2-propoxyethanol 419.16
    tert-butanol 331.19
    MTBE 227.0
    2-butoxyethanol 206.96
    propionic acid 163.35
    o-xylene 155.21
    formic acid 117.91
    diethyl ether 271.07
    m-xylene 170.37
    p-xylene 153.89
    chlorobenzene 234.65
    dimethyl carbonate 105.2
    n-octane 19.63
    formamide 183.67
    cyclopentanone 351.94
    2-pentanone 237.46
    anisole 255.27
    cyclopentyl methyl ether 235.04
    gamma-butyrolactone 349.47
    1-methoxy-2-propanol 328.83
    pyridine 447.84
    3-pentanone 173.1
    furfural 385.63
    n-dodecane 18.06
    diethylene glycol 273.43
    diisopropyl ether 66.02
    tert-amyl alcohol 252.46
    acetylacetone 192.89
    n-hexadecane 20.3
    acetophenone 193.09
    methyl propionate 193.26
    isopentyl acetate 177.42
    trichloroethylene 631.18
    n-nonanol 133.26
    cyclohexanol 228.38
    benzyl alcohol 240.67
    2-ethylhexanol 173.17
    isooctanol 112.25
    dipropyl ether 175.95
    1,2-dichlorobenzene 180.87
    ethyl lactate 93.33
    propylene carbonate 229.46
    n-methylformamide 322.74
    2-pentanol 188.61
    n-pentane 38.77
    1-propoxy-2-propanol 245.27
    1-methoxy-2-propyl acetate 177.67
    2-(2-methoxypropoxy) propanol 161.77
    mesitylene 89.5
    ε-caprolactone 287.92
    p-cymene 91.61
    epichlorohydrin 521.23
    1,1,1-trichloroethane 301.91
    2-aminoethanol 204.67
    morpholine-4-carbaldehyde 438.62
    sulfolane 296.66
    2,2,4-trimethylpentane 20.83
    2-methyltetrahydrofuran 401.0
    n-hexyl acetate 186.87
    isooctane 17.66
    2-(2-butoxyethoxy)ethanol 220.1
    sec-butyl acetate 104.46
    tert-butyl acetate 137.13
    decalin 32.3
    glycerin 137.66
    diglyme 392.09
    acrylic acid 142.19
    isopropyl myristate 79.48
    n-butyric acid 240.05
    acetyl acetate 113.09
    di(2-ethylhexyl) phthalate 82.72
    ethyl propionate 134.92
    nitromethane 307.48
    1,2-diethoxyethane 204.15
    benzonitrile 255.43
    trioctyl phosphate 65.48
    1-bromopropane 273.27
    gamma-valerolactone 479.03
    n-decanol 101.47
    triethyl phosphate 79.31
    4-methyl-2-pentanol 106.11
    propionitrile 272.94
    vinylene carbonate 247.76
    1,1,2-trichlorotrifluoroethane 288.91
    DMS 113.47
    cumene 94.94
    2-octanol 99.46
    2-hexanone 187.42
    octyl acetate 111.62
    limonene 121.75
    1,2-dimethoxyethane 485.37
    ethyl orthosilicate 80.8
    tributyl phosphate 66.69
    diacetone alcohol 197.28
    N,N-dimethylaniline 168.18
    acrylonitrile 314.65
    aniline 249.55
    1,3-propanediol 295.31
    bromobenzene 239.65
    dibromomethane 443.17
    1,1,2,2-tetrachloroethane 441.05
    2-methyl-cyclohexyl acetate 132.32
    tetrabutyl urea 97.71
    diisobutyl methanol 88.09
    2-phenylethanol 242.13
    styrene 177.12
    dioctyl adipate 106.27
    dimethyl sulfate 108.39
    ethyl butyrate 163.07
    methyl lactate 103.31
    butyl lactate 101.78
    diethyl carbonate 117.62
    propanediol butyl ether 168.17
    triethyl orthoformate 111.72
    p-tert-butyltoluene 89.91
    methyl 4-tert-butylbenzoate 152.63
    morpholine 684.66
    tert-butylamine 211.64
    n-dodecanol 78.51
    dimethoxymethane 409.69
    ethylene carbonate 199.23
    cyrene 162.54
    2-ethoxyethyl acetate 157.89
    2-ethylhexyl acetate 142.62
    1,2,4-trichlorobenzene 194.17
    4-methylpyridine 444.46
    dibutyl ether 130.71
    2,6-dimethyl-4-heptanol 88.09
    DEF 265.19
    dimethyl isosorbide 254.54
    tetrachloroethylene 289.99
    eugenol 163.0
    triacetin 122.68
    span 80 142.57
    1,4-butanediol 132.86
    1,1-dichloroethane 352.49
    2-methyl-1-pentanol 215.92
    methyl formate 251.42
    2-methyl-1-butanol 241.47
    n-decane 28.96
    butyronitrile 332.27
    3,7-dimethyl-1-octanol 130.48
    1-chlorooctane 103.73
    1-chlorotetradecane 45.76
    n-nonane 27.93
    undecane 22.23
    tert-butylcyclohexane 32.45
    cyclooctane 21.63
    cyclopentanol 219.87
    tetrahydropyran 471.88
    tert-amyl methyl ether 181.33
    2,5,8-trioxanonane 275.98
    1-hexene 121.64
    2-isopropoxyethanol 198.77
    2,2,2-trifluoroethanol 76.19
    methyl butyrate 197.08

    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

Botanical

Name CAS Botanical Proportion
Cymbidium sinense flower headspace (China) Cymbidium sinense (Andr.) Willd., fam. Orchidaceae 0.25%