2,3-Dimethylanisole

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  • Identifiers

    CAS number
    2944-49-2

    Molecular formula
    C9H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 67.03%
    Spicy 62.6%
    Herbal 56.41%
    Earthy 51.71%
    Leathery 49.49%
    Woody 47.36%
    Smoky 46.61%
    Nutty 45.16%
    Medicinal 44.59%
    Musty 40.67%

     

    Flavor
    Phenolic 46.85%
    Nutty 38.21%
    Earthy 37.83%
    Spicy 37.42%
    Smoky 34.7%
    Musty 33.89%
    Medicinal 31.6%
    Herbal 30.73%
    Smoke 28.81%
    Leather 28.36%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.14 (neutral)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point

    • 64.79 ˚C est.

  • Synonyms

    • 2,3-Dimethylanisole
    • 2944-49-2
    • 1-Methoxy-2,3-dimethylbenzene
    • 3-Methoxy-o-xylene
    • Benzene, 1-methoxy-2,3-dimethyl-
    • 1,2-Dimethyl-6-methoxybenzene
    • 1O9C26L62B
    • EINECS 220-948-0
    • NSC-137144
    • BLMBNEVGYRXFNA-UHFFFAOYSA-
    • DTXSID60183646
    • NSC 137144
    • RefChem:81848
    • DTXCID00106137
    • 220-948-0
    • BLMBNEVGYRXFNA-UHFFFAOYSA-N
    • InChI=1/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3
    • dimethylanisole
    • MFCD00008376
    • 2.3-Dimethylanisole
    • Benzene, methoxydimethyl-
    • 2,3-dimethyl-anisole
    • NSC137144
    • 2,3-dimethyl anisole
    • SCHEMBL78554
    • 2,3-Dimethylanisole, 97%
    • SCHEMBL314705
    • SCHEMBL457306
    • UNII-1O9C26L62B
    • SCHEMBL1491049
    • SCHEMBL2287683
    • SCHEMBL4836485
    • SCHEMBL15515317
    • SCHEMBL17748440
    • SCHEMBL29352478
    • 2,3-Dimethylphenol methyl ether
    • 1-Methoxy-2,3-dimethylbenzene #
    • CS-M2533
    • CK1192
    • STL196605
    • AKOS005232439
    • DS-5006
    • FD64635
    • SY048935
    • DB-068118
    • D2200
    • NS00028700
    • EN300-176987
    • F243232
    • 2944-49-2

  • Applications

    2,3-Dimethylanisole (CAS 2944-49-2) is primarily used as an odorant in perfumery and as an aroma compound for flavor applications; it is also employed as a fragrance ingredient in cosmetics and personal care products, and may appear in household and cleaning products to impart scent. In industrial manufacturing, it serves as an intermediate in the synthesis of aroma chemicals and other fine chemicals, and may function as a solvent or reaction medium in certain formulations. These uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1748.16
    methanol 1608.37
    isopropanol 1501.39
    water 9.72
    ethyl acetate 2404.96
    n-propanol 1742.37
    acetone 2035.58
    n-butanol 1578.45
    acetonitrile 3256.12
    DMF 1578.8
    toluene 1114.63
    isobutanol 1274.49
    1,4-dioxane 6658.59
    methyl acetate 2277.25
    THF 4002.48
    2-butanone 1882.38
    n-pentanol 1120.63
    sec-butanol 1381.62
    n-hexane 701.4
    ethylene glycol 370.23
    NMP 1240.74
    cyclohexane 995.01
    DMSO 1764.06
    n-butyl acetate 1462.39
    n-octanol 626.43
    chloroform 6463.98
    n-propyl acetate 1481.66
    acetic acid 1370.1
    dichloromethane 6531.8
    cyclohexanone 2648.84
    propylene glycol 381.89
    isopropyl acetate 1246.02
    DMAc 827.9
    2-ethoxyethanol 1686.26
    isopentanol 1194.83
    n-heptane 418.38
    ethyl formate 1392.51
    1,2-dichloroethane 4273.48
    n-hexanol 1184.12
    2-methoxyethanol 2102.34
    isobutyl acetate 831.69
    tetrachloromethane 1998.17
    n-pentyl acetate 847.04
    transcutol 2474.84
    n-heptanol 581.39
    ethylbenzene 719.78
    MIBK 945.52
    2-propoxyethanol 1634.99
    tert-butanol 1930.38
    MTBE 2307.84
    2-butoxyethanol 875.78
    propionic acid 1428.2
    o-xylene 672.15
    formic acid 479.81
    diethyl ether 3714.93
    m-xylene 725.49
    p-xylene 845.31
    chlorobenzene 1501.77
    dimethyl carbonate 623.97
    n-octane 210.78
    formamide 822.89
    cyclopentanone 2380.89
    2-pentanone 1572.64
    anisole 1437.94
    cyclopentyl methyl ether 2269.5
    gamma-butyrolactone 2742.45
    1-methoxy-2-propanol 1340.33
    pyridine 2378.55
    3-pentanone 1334.78
    furfural 2005.22
    n-dodecane 127.29
    diethylene glycol 971.36
    diisopropyl ether 985.41
    tert-amyl alcohol 1487.94
    acetylacetone 1316.79
    n-hexadecane 146.16
    acetophenone 893.49
    methyl propionate 1479.06
    isopentyl acetate 1089.75
    trichloroethylene 5325.18
    n-nonanol 532.82
    cyclohexanol 1597.38
    benzyl alcohol 823.4
    2-ethylhexanol 747.81
    isooctanol 482.74
    dipropyl ether 1345.66
    1,2-dichlorobenzene 1343.28
    ethyl lactate 457.99
    propylene carbonate 1457.24
    n-methylformamide 1302.0
    2-pentanol 1173.04
    n-pentane 607.32
    1-propoxy-2-propanol 1030.4
    1-methoxy-2-propyl acetate 942.88
    2-(2-methoxypropoxy) propanol 618.59
    mesitylene 537.69
    ε-caprolactone 2235.68
    p-cymene 379.12
    epichlorohydrin 4143.68
    1,1,1-trichloroethane 4140.49
    2-aminoethanol 695.39
    morpholine-4-carbaldehyde 2073.32
    sulfolane 2394.75
    2,2,4-trimethylpentane 247.69
    2-methyltetrahydrofuran 3471.57
    n-hexyl acetate 1128.97
    isooctane 225.33
    2-(2-butoxyethoxy)ethanol 914.46
    sec-butyl acetate 894.02
    tert-butyl acetate 1315.76
    decalin 384.3
    glycerin 463.31
    diglyme 1970.43
    acrylic acid 1021.83
    isopropyl myristate 450.37
    n-butyric acid 1685.69
    acetyl acetate 1083.56
    di(2-ethylhexyl) phthalate 286.42
    ethyl propionate 1286.99
    nitromethane 2689.17
    1,2-diethoxyethane 1771.65
    benzonitrile 1130.87
    trioctyl phosphate 256.26
    1-bromopropane 2502.08
    gamma-valerolactone 2947.49
    n-decanol 396.45
    triethyl phosphate 432.36
    4-methyl-2-pentanol 576.39
    propionitrile 2164.83
    vinylene carbonate 1484.64
    1,1,2-trichlorotrifluoroethane 1594.97
    DMS 786.52
    cumene 480.99
    2-octanol 477.42
    2-hexanone 1354.28
    octyl acetate 550.49
    limonene 565.34
    1,2-dimethoxyethane 3139.8
    ethyl orthosilicate 430.2
    tributyl phosphate 323.6
    diacetone alcohol 1004.72
    N,N-dimethylaniline 748.98
    acrylonitrile 2136.78
    aniline 1223.31
    1,3-propanediol 1133.23
    bromobenzene 1627.77
    dibromomethane 4439.04
    1,1,2,2-tetrachloroethane 4011.54
    2-methyl-cyclohexyl acetate 633.7
    tetrabutyl urea 363.09
    diisobutyl methanol 427.02
    2-phenylethanol 774.65
    styrene 917.17
    dioctyl adipate 514.86
    dimethyl sulfate 768.55
    ethyl butyrate 1070.34
    methyl lactate 472.44
    butyl lactate 461.98
    diethyl carbonate 722.49
    propanediol butyl ether 580.44
    triethyl orthoformate 681.55
    p-tert-butyltoluene 378.14
    methyl 4-tert-butylbenzoate 655.47
    morpholine 5163.3
    tert-butylamine 1416.76
    n-dodecanol 309.56
    dimethoxymethane 1705.89
    ethylene carbonate 1451.32
    cyrene 571.69
    2-ethoxyethyl acetate 1043.11
    2-ethylhexyl acetate 932.2
    1,2,4-trichlorobenzene 1401.08
    4-methylpyridine 2150.44
    dibutyl ether 1056.71
    2,6-dimethyl-4-heptanol 427.02
    DEF 1588.24
    dimethyl isosorbide 1024.75
    tetrachloroethylene 2987.23
    eugenol 620.38
    triacetin 691.85
    span 80 527.72
    1,4-butanediol 481.05
    1,1-dichloroethane 3881.17
    2-methyl-1-pentanol 886.16
    methyl formate 1131.09
    2-methyl-1-butanol 1215.07
    n-decane 229.47
    butyronitrile 2058.98
    3,7-dimethyl-1-octanol 536.81
    1-chlorooctane 688.44
    1-chlorotetradecane 257.79
    n-nonane 259.17
    undecane 162.5
    tert-butylcyclohexane 361.42
    cyclooctane 396.69
    cyclopentanol 1505.48
    tetrahydropyran 4700.97
    tert-amyl methyl ether 1471.66
    2,5,8-trioxanonane 1124.71
    1-hexene 1359.46
    2-isopropoxyethanol 1136.22
    2,2,2-trifluoroethanol 595.44
    methyl butyrate 1516.38

    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