Methyl 2,6-dimethylbenzoate

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  • Identifiers

    CAS number
    14920-81-1

    Molecular formula
    C10H12O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 73.91%
    Sweet 47.33%
    Fruity 43.25%
    Phenolic 42.3%
    Animal 37.34%
    Powdery 36.37%
    Grape 35.9%
    Neroli 35.76%
    Herbal 31.8%
    Aromatic 29.54%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point est.
    98.62 ˚C

  • Synonyms

    • Methyl 2,6-dimethylbenzoate
    • 14920-81-1
    • Benzoic acid, 2,6-dimethyl-, methyl ester
    • MFCD06203721
    • DTXSID70333877
    • 2,6-(CH3)2-C6H3-COOCH3
    • 2,6-dimethylbenzoic acid methyl ester
    • Methyl2,6-Dimethylbenzoate
    • methyl m-methyltoluate
    • SCHEMBL403705
    • Methyl 2,6-Dimethyl-benzoate
    • CHEMBL5267103
    • DTXCID80284967
    • Methyl 2 pound not6-Dimethylbenzoate
    • AKOS006294000
    • 2,6-dimethylbenzoic acid, methyl ester
    • AC-25602
    • AS-31348
    • SY020109
    • DB-360653
    • CS-0153699
    • 870-675-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1759.83
    methanol 1716.3
    isopropanol 1335.3
    water 10.68
    ethyl acetate 1344.2
    n-propanol 1457.75
    acetone 1905.91
    n-butanol 1202.43
    acetonitrile 2915.7
    DMF 3331.26
    toluene 870.3
    isobutanol 942.75
    1,4-dioxane 3865.79
    methyl acetate 1496.63
    THF 3355.69
    2-butanone 1375.64
    n-pentanol 869.51
    sec-butanol 1091.44
    n-hexane 200.97
    ethylene glycol 571.99
    NMP 1693.09
    cyclohexane 367.97
    DMSO 1854.6
    n-butyl acetate 690.89
    n-octanol 529.44
    chloroform 5079.65
    n-propyl acetate 739.32
    acetic acid 1138.48
    dichloromethane 5504.57
    cyclohexanone 2041.22
    propylene glycol 486.07
    isopropyl acetate 680.97
    DMAc 1021.52
    2-ethoxyethanol 1126.72
    isopentanol 703.55
    n-heptane 156.59
    ethyl formate 1313.96
    1,2-dichloroethane 3209.1
    n-hexanol 891.75
    2-methoxyethanol 2001.52
    isobutyl acetate 399.11
    tetrachloromethane 884.58
    n-pentyl acetate 498.66
    transcutol 837.1
    n-heptanol 462.52
    ethylbenzene 501.14
    MIBK 615.65
    2-propoxyethanol 1197.89
    tert-butanol 1136.79
    MTBE 846.21
    2-butoxyethanol 604.74
    propionic acid 1019.43
    o-xylene 483.68
    formic acid 504.71
    diethyl ether 1590.11
    m-xylene 613.69
    p-xylene 570.91
    chlorobenzene 1225.47
    dimethyl carbonate 711.26
    n-octane 97.7
    formamide 997.16
    cyclopentanone 2416.49
    2-pentanone 1221.68
    anisole 801.4
    cyclopentyl methyl ether 1428.12
    gamma-butyrolactone 2740.8
    1-methoxy-2-propanol 1337.16
    pyridine 2072.3
    3-pentanone 911.9
    furfural 1708.12
    n-dodecane 77.39
    diethylene glycol 917.25
    diisopropyl ether 354.39
    tert-amyl alcohol 849.97
    acetylacetone 1101.65
    n-hexadecane 90.53
    acetophenone 599.8
    methyl propionate 1243.43
    isopentyl acetate 492.34
    trichloroethylene 4498.8
    n-nonanol 429.31
    cyclohexanol 1150.66
    benzyl alcohol 641.84
    2-ethylhexanol 432.34
    isooctanol 345.73
    dipropyl ether 574.56
    1,2-dichlorobenzene 974.09
    ethyl lactate 376.82
    propylene carbonate 1308.29
    n-methylformamide 2318.26
    2-pentanol 784.89
    n-pentane 243.51
    1-propoxy-2-propanol 706.44
    1-methoxy-2-propyl acetate 577.93
    2-(2-methoxypropoxy) propanol 341.57
    mesitylene 385.89
    ε-caprolactone 1439.27
    p-cymene 243.28
    epichlorohydrin 3266.54
    1,1,1-trichloroethane 2319.4
    2-aminoethanol 824.36
    morpholine-4-carbaldehyde 1821.04
    sulfolane 2290.87
    2,2,4-trimethylpentane 83.01
    2-methyltetrahydrofuran 2022.74
    n-hexyl acetate 724.91
    isooctane 79.46
    2-(2-butoxyethoxy)ethanol 532.69
    sec-butyl acetate 395.75
    tert-butyl acetate 601.14
    decalin 151.02
    glycerin 559.41
    diglyme 1034.49
    acrylic acid 877.69
    isopropyl myristate 272.07
    n-butyric acid 1183.55
    acetyl acetate 679.32
    di(2-ethylhexyl) phthalate 203.41
    ethyl propionate 710.17
    nitromethane 2425.07
    1,2-diethoxyethane 602.79
    benzonitrile 941.33
    trioctyl phosphate 198.11
    1-bromopropane 1825.89
    gamma-valerolactone 2391.16
    n-decanol 327.96
    triethyl phosphate 240.1
    4-methyl-2-pentanol 352.64
    propionitrile 1866.59
    vinylene carbonate 1342.55
    1,1,2-trichlorotrifluoroethane 1302.87
    DMS 508.37
    cumene 305.21
    2-octanol 375.49
    2-hexanone 698.44
    octyl acetate 376.23
    limonene 337.35
    1,2-dimethoxyethane 1776.98
    ethyl orthosilicate 222.73
    tributyl phosphate 210.31
    diacetone alcohol 676.28
    N,N-dimethylaniline 491.77
    acrylonitrile 2366.39
    aniline 882.54
    1,3-propanediol 1106.53
    bromobenzene 1335.14
    dibromomethane 3547.44
    1,1,2,2-tetrachloroethane 2880.31
    2-methyl-cyclohexyl acetate 356.06
    tetrabutyl urea 283.87
    diisobutyl methanol 237.47
    2-phenylethanol 593.24
    styrene 608.03
    dioctyl adipate 296.96
    dimethyl sulfate 833.55
    ethyl butyrate 509.88
    methyl lactate 544.93
    butyl lactate 323.18
    diethyl carbonate 369.03
    propanediol butyl ether 476.65
    triethyl orthoformate 325.36
    p-tert-butyltoluene 248.39
    methyl 4-tert-butylbenzoate 473.01
    morpholine 3462.73
    tert-butylamine 701.59
    n-dodecanol 250.73
    dimethoxymethane 2003.64
    ethylene carbonate 1223.66
    cyrene 422.27
    2-ethoxyethyl acetate 513.55
    2-ethylhexyl acetate 390.87
    1,2,4-trichlorobenzene 947.13
    4-methylpyridine 1645.92
    dibutyl ether 460.53
    2,6-dimethyl-4-heptanol 237.47
    DEF 1291.64
    dimethyl isosorbide 642.29
    tetrachloroethylene 1953.2
    eugenol 452.07
    triacetin 420.16
    span 80 346.77
    1,4-butanediol 520.15
    1,1-dichloroethane 2901.17
    2-methyl-1-pentanol 522.5
    methyl formate 1854.22
    2-methyl-1-butanol 735.17
    n-decane 128.04
    butyronitrile 1760.11
    3,7-dimethyl-1-octanol 340.26
    1-chlorooctane 443.71
    1-chlorotetradecane 171.16
    n-nonane 137.35
    undecane 97.78
    tert-butylcyclohexane 130.89
    cyclooctane 136.75
    cyclopentanol 1351.58
    tetrahydropyran 2789.78
    tert-amyl methyl ether 581.45
    2,5,8-trioxanonane 597.67
    1-hexene 602.04
    2-isopropoxyethanol 660.44
    2,2,2-trifluoroethanol 515.16
    methyl butyrate 914.85

    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
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 0.26%