Methyl 2,4-dimethylbenzoate

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  • Identifiers

    CAS number
    23617-71-2

    Molecular formula
    C10H12O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1821.0

  • Odor profile

    Floral 76.65%
    Fruity 52.42%
    Sweet 52.08%
    Phenolic 39.96%
    Grape 37.86%
    Powdery 36.6%
    Neroli 36.4%
    Animal 34.45%
    Cherry 33.69%
    Herbal 30.78%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point est.
    105.83 ˚C

  • Synonyms

    • METHYL 2,4-DIMETHYLBENZOATE
    • 23617-71-2
    • Benzoic acid, 2,4-dimethyl-, methyl ester
    • 2,4-dimethylbenzoic acid methyl ester
    • MFCD06203654
    • DTXSID20178290
    • SCHEMBL158111
    • DTXCID50100781
    • YAA61771
    • STL444071
    • AKOS002392965
    • DS-7142
    • 2,4-dimethyl-benzoic acid methyl ester
    • 2,4-(CH3)2-C6H3-COOCH3
    • SY149082
    • CS-0153337
    • D81972
    • EN300-129269
    • Q63399034
    • Z18557172
    • 818-131-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1174.85
    methanol 1437.0
    isopropanol 982.74
    water 6.47
    ethyl acetate 1099.8
    n-propanol 1150.43
    acetone 1543.66
    n-butanol 973.19
    acetonitrile 1766.05
    DMF 2083.91
    toluene 586.8
    isobutanol 887.5
    1,4-dioxane 2891.78
    methyl acetate 1203.65
    THF 2873.42
    2-butanone 1215.88
    n-pentanol 587.92
    sec-butanol 878.93
    n-hexane 141.0
    ethylene glycol 261.46
    NMP 1478.07
    cyclohexane 233.38
    DMSO 1011.95
    n-butyl acetate 437.59
    n-octanol 207.13
    chloroform 2813.99
    n-propyl acetate 493.62
    acetic acid 1242.61
    dichloromethane 2432.66
    cyclohexanone 1558.6
    propylene glycol 265.14
    isopropyl acetate 571.54
    DMAc 900.99
    2-ethoxyethanol 893.56
    isopentanol 737.2
    n-heptane 51.35
    ethyl formate 736.4
    1,2-dichloroethane 1884.84
    n-hexanol 526.05
    2-methoxyethanol 1758.44
    isobutyl acetate 314.65
    tetrachloromethane 414.44
    n-pentyl acetate 278.64
    transcutol 1069.31
    n-heptanol 229.59
    ethylbenzene 280.47
    MIBK 516.55
    2-propoxyethanol 829.51
    tert-butanol 1121.04
    MTBE 1051.72
    2-butoxyethanol 410.89
    propionic acid 844.54
    o-xylene 289.88
    formic acid 492.63
    diethyl ether 1598.23
    m-xylene 362.69
    p-xylene 338.5
    chlorobenzene 687.22
    dimethyl carbonate 480.76
    n-octane 25.6
    formamide 946.36
    cyclopentanone 1861.3
    2-pentanone 992.12
    anisole 578.59
    cyclopentyl methyl ether 1271.16
    gamma-butyrolactone 2034.36
    1-methoxy-2-propanol 1071.39
    pyridine 1407.89
    3-pentanone 766.61
    furfural 1244.05
    n-dodecane 19.81
    diethylene glycol 641.15
    diisopropyl ether 327.89
    tert-amyl alcohol 832.37
    acetylacetone 858.52
    n-hexadecane 23.6
    acetophenone 420.2
    methyl propionate 950.56
    isopentyl acetate 380.27
    trichloroethylene 2976.89
    n-nonanol 182.8
    cyclohexanol 886.94
    benzyl alcohol 447.67
    2-ethylhexanol 231.88
    isooctanol 184.76
    dipropyl ether 306.58
    1,2-dichlorobenzene 536.14
    ethyl lactate 204.65
    propylene carbonate 846.91
    n-methylformamide 1378.07
    2-pentanol 638.63
    n-pentane 130.48
    1-propoxy-2-propanol 430.28
    1-methoxy-2-propyl acetate 428.47
    2-(2-methoxypropoxy) propanol 259.92
    mesitylene 219.71
    ε-caprolactone 1138.69
    p-cymene 104.38
    epichlorohydrin 2524.15
    1,1,1-trichloroethane 1523.65
    2-aminoethanol 517.79
    morpholine-4-carbaldehyde 1377.75
    sulfolane 1557.48
    2,2,4-trimethylpentane 58.66
    2-methyltetrahydrofuran 1882.42
    n-hexyl acetate 406.9
    isooctane 50.9
    2-(2-butoxyethoxy)ethanol 405.76
    sec-butyl acetate 338.03
    tert-butyl acetate 608.11
    decalin 84.03
    glycerin 389.79
    diglyme 810.07
    acrylic acid 766.34
    isopropyl myristate 145.0
    n-butyric acid 976.0
    acetyl acetate 579.62
    di(2-ethylhexyl) phthalate 125.5
    ethyl propionate 461.01
    nitromethane 2249.18
    1,2-diethoxyethane 442.03
    benzonitrile 508.56
    trioctyl phosphate 104.57
    1-bromopropane 931.18
    gamma-valerolactone 1998.34
    n-decanol 130.29
    triethyl phosphate 147.73
    4-methyl-2-pentanol 308.61
    propionitrile 1095.26
    vinylene carbonate 848.99
    1,1,2-trichlorotrifluoroethane 1006.09
    DMS 397.03
    cumene 165.94
    2-octanol 170.27
    2-hexanone 518.35
    octyl acetate 191.89
    limonene 166.41
    1,2-dimethoxyethane 1379.58
    ethyl orthosilicate 147.52
    tributyl phosphate 123.02
    diacetone alcohol 616.0
    N,N-dimethylaniline 326.43
    acrylonitrile 1325.9
    aniline 695.26
    1,3-propanediol 833.47
    bromobenzene 683.72
    dibromomethane 1495.64
    1,1,2,2-tetrachloroethane 2076.65
    2-methyl-cyclohexyl acetate 243.98
    tetrabutyl urea 148.56
    diisobutyl methanol 131.38
    2-phenylethanol 364.04
    styrene 362.35
    dioctyl adipate 180.76
    dimethyl sulfate 589.31
    ethyl butyrate 279.36
    methyl lactate 346.37
    butyl lactate 185.13
    diethyl carbonate 201.56
    propanediol butyl ether 278.24
    triethyl orthoformate 199.46
    p-tert-butyltoluene 114.67
    methyl 4-tert-butylbenzoate 297.49
    morpholine 2887.71
    tert-butylamine 678.33
    n-dodecanol 97.26
    dimethoxymethane 1483.13
    ethylene carbonate 786.07
    cyrene 341.48
    2-ethoxyethyl acetate 372.61
    2-ethylhexyl acetate 296.78
    1,2,4-trichlorobenzene 620.5
    4-methylpyridine 1233.78
    dibutyl ether 235.39
    2,6-dimethyl-4-heptanol 131.38
    DEF 1015.8
    dimethyl isosorbide 493.32
    tetrachloroethylene 1379.59
    eugenol 294.57
    triacetin 284.07
    span 80 235.6
    1,4-butanediol 282.44
    1,1-dichloroethane 1747.37
    2-methyl-1-pentanol 468.45
    methyl formate 1042.86
    2-methyl-1-butanol 770.26
    n-decane 34.58
    butyronitrile 936.65
    3,7-dimethyl-1-octanol 180.45
    1-chlorooctane 153.2
    1-chlorotetradecane 60.05
    n-nonane 32.88
    undecane 25.4
    tert-butylcyclohexane 79.3
    cyclooctane 63.04
    cyclopentanol 973.89
    tetrahydropyran 2563.52
    tert-amyl methyl ether 622.95
    2,5,8-trioxanonane 442.66
    1-hexene 389.65
    2-isopropoxyethanol 534.86
    2,2,2-trifluoroethanol 515.94
    methyl butyrate 586.43

    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
Buddleia asiatica (China) Buddleia asiatica Lour., fam. Loganiaceae 2.09%