1-Methoxy-3-methylbenzene

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  • Identifiers

    CAS number
    100-84-5

    Molecular formula
    C8H10O

    SMILES
    CC1=CC(=CC=C1)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 71.08%
    Phenolic 54.38%
    Sweet 51.14%
    Nutty 50.07%
    Anisic 47.4%
    Earthy 40.7%
    Green 38.65%
    Woody 34.62%
    Leathery 34.44%
    Animal 32.5%

     

    Flavor
    Phenolic 49.09%
    Nutty 32.41%
    Sweet 30.5%
    Plastic 30.48%
    Medicinal 29.79%
    Fruity 28.47%
    Spicy 28.46%
    Leather 27.55%
    Musty 27.43%
    Smoky 26.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.13 (neutral)

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    179°C

    Flash point

    • 51.81 ˚C est.

  • Synonyms

    • 3-Methylanisole
    • 100-84-5
    • 1-Methoxy-3-methylbenzene
    • 3-Methoxytoluene
    • m-Methylanisole
    • Benzene, 1-methoxy-3-methyl-
    • m-Cresol methyl ether
    • M-METHOXYTOLUENE
    • Anisole, m-methyl-
    • Methyl m-tolyl ether
    • m-Cresyl methyl ether
    • Methyl m-cresyl ether
    • 3-Methylmethoxybenzene
    • Methyl 3-methylphenyl ether
    • 1-Methyl-3-methoxybenzene
    • 3-Methyl-1-methoxybenzene
    • 1-Methoxy-3-methyl-benzene
    • NSC 6255
    • 3-Cresol methyl ether
    • UI9I3Y6WTZ
    • EINECS 202-893-4
    • AI3-19476
    • NSC-6255
    • META METHOXYTOLUENE
    • CHEMBL349791
    • DTXSID2051500
    • Meta-Methylanisole
    • META-CRESOL DEUTEROMETHYL ETHER
    • UNII-UI9I3Y6WTZ
    • mMethoxytoluene
    • mMethylanisole
    • 3Methoxytoluene
    • Anisole, mmethyl
    • m-Methyl anisole
    • 3-methyl anisole
    • 3-methoxy toluene
    • Methyl mtolyl ether
    • 3Methylmethoxybenzene
    • mCresol methyl ether
    • mCresyl methyl ether
    • Methyl mcresyl ether
    • MFCD00008395
    • 1Methoxy3methylbenzene
    • 1Methyl3methoxybenzene
    • 3-Methylanisole, 99%
    • Benzene, 1methoxy3methyl
    • Methyl 3methylphenyl ether
    • SCHEMBL12353
    • DTXCID9030048
    • SCHEMBL12015250
    • NSC6255
    • CHEBI:167079
    • STR09347
    • BDBM50008537
    • AKOS000121157
    • DB-012728
    • CS-0034591
    • M0151
    • NS00005982
    • EN300-26366
    • H11854
    • A800280
    • Q27291091
    • Z53834440
    • F0001-0028
    • 202-893-4

  • Applications

    1-Methoxy-3-methylbenzene (CAS number: 100-84-5) is primarily used as a fragrance and aroma component in perfumery and flavor applications, serving as a building block for aroma profiles with a distinct note. It is also employed as a solvent or processing aid in coatings, inks, and adhesives. It acts as an intermediate in the synthesis of specialty chemicals, including dyes, agrochemicals, and pharmaceutical precursors, providing a building block for various fine chemicals. In cosmetics and personal care, it can be used as a fragrance ingredient. It is commonly regarded as a building block for specialty chemicals and polymer additives. In flavor and fragrance formulation development, 1-Methoxy-3-methylbenzene is considered a foundational feedstock.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2247.84
    methanol 1401.17
    isopropanol 2187.57
    water 6.11
    ethyl acetate 2395.86
    n-propanol 2111.53
    acetone 3012.9
    n-butanol 1742.92
    acetonitrile 3585.82
    DMF 1883.67
    toluene 931.62
    isobutanol 1615.81
    1,4-dioxane 4916.25
    methyl acetate 2572.84
    THF 3675.86
    2-butanone 2274.5
    n-pentanol 1115.22
    sec-butanol 1985.63
    n-hexane 655.61
    ethylene glycol 602.53
    NMP 1466.6
    cyclohexane 828.63
    DMSO 2469.35
    n-butyl acetate 1111.36
    n-octanol 644.53
    chloroform 5366.82
    n-propyl acetate 1112.35
    acetic acid 1810.88
    dichloromethane 4782.18
    cyclohexanone 2365.53
    propylene glycol 851.17
    isopropyl acetate 1075.38
    DMAc 1098.45
    2-ethoxyethanol 1482.52
    isopentanol 1204.6
    n-heptane 363.77
    ethyl formate 1232.9
    1,2-dichloroethane 2917.73
    n-hexanol 1384.09
    2-methoxyethanol 2091.52
    isobutyl acetate 663.79
    tetrachloromethane 1159.62
    n-pentyl acetate 568.34
    transcutol 2378.52
    n-heptanol 525.56
    ethylbenzene 487.6
    MIBK 896.96
    2-propoxyethanol 1619.67
    tert-butanol 2405.15
    MTBE 2163.38
    2-butoxyethanol 758.0
    propionic acid 1786.03
    o-xylene 549.14
    formic acid 417.13
    diethyl ether 2888.29
    m-xylene 594.61
    p-xylene 583.66
    chlorobenzene 1111.96
    dimethyl carbonate 628.39
    n-octane 160.3
    formamide 640.83
    cyclopentanone 2426.22
    2-pentanone 1711.67
    anisole 1000.98
    cyclopentyl methyl ether 1993.2
    gamma-butyrolactone 2558.71
    1-methoxy-2-propanol 1632.52
    pyridine 2089.83
    3-pentanone 1375.84
    furfural 1676.1
    n-dodecane 118.15
    diethylene glycol 1141.43
    diisopropyl ether 710.82
    tert-amyl alcohol 1838.05
    acetylacetone 1463.68
    n-hexadecane 131.55
    acetophenone 661.11
    methyl propionate 1598.03
    isopentyl acetate 813.29
    trichloroethylene 4085.96
    n-nonanol 511.81
    cyclohexanol 1628.04
    benzyl alcohol 658.99
    2-ethylhexanol 675.32
    isooctanol 426.84
    dipropyl ether 1090.5
    1,2-dichlorobenzene 875.71
    ethyl lactate 474.59
    propylene carbonate 1319.21
    n-methylformamide 1206.9
    2-pentanol 1356.56
    n-pentane 550.8
    1-propoxy-2-propanol 1069.36
    1-methoxy-2-propyl acetate 855.84
    2-(2-methoxypropoxy) propanol 624.25
    mesitylene 380.01
    ε-caprolactone 1905.2
    p-cymene 264.91
    epichlorohydrin 3237.69
    1,1,1-trichloroethane 3191.1
    2-aminoethanol 1028.64
    morpholine-4-carbaldehyde 1779.63
    sulfolane 2418.11
    2,2,4-trimethylpentane 213.62
    2-methyltetrahydrofuran 3244.94
    n-hexyl acetate 961.03
    isooctane 185.06
    2-(2-butoxyethoxy)ethanol 940.02
    sec-butyl acetate 692.9
    tert-butyl acetate 1074.58
    decalin 279.25
    glycerin 836.23
    diglyme 1683.75
    acrylic acid 1227.4
    isopropyl myristate 387.12
    n-butyric acid 1929.8
    acetyl acetate 1091.07
    di(2-ethylhexyl) phthalate 262.37
    ethyl propionate 974.79
    nitromethane 2918.19
    1,2-diethoxyethane 1171.3
    benzonitrile 852.5
    trioctyl phosphate 227.27
    1-bromopropane 2109.58
    gamma-valerolactone 2376.3
    n-decanol 391.82
    triethyl phosphate 304.07
    4-methyl-2-pentanol 589.85
    propionitrile 2084.31
    vinylene carbonate 1139.18
    1,1,2-trichlorotrifluoroethane 1628.43
    DMS 666.09
    cumene 324.02
    2-octanol 428.4
    2-hexanone 1139.42
    octyl acetate 494.14
    limonene 449.62
    1,2-dimethoxyethane 2228.52
    ethyl orthosilicate 306.27
    tributyl phosphate 262.21
    diacetone alcohol 1102.7
    N,N-dimethylaniline 551.8
    acrylonitrile 2001.51
    aniline 1085.52
    1,3-propanediol 1278.07
    bromobenzene 1219.41
    dibromomethane 3353.73
    1,1,2,2-tetrachloroethane 3226.72
    2-methyl-cyclohexyl acetate 502.15
    tetrabutyl urea 319.24
    diisobutyl methanol 372.3
    2-phenylethanol 650.02
    styrene 608.53
    dioctyl adipate 449.83
    dimethyl sulfate 845.05
    ethyl butyrate 777.4
    methyl lactate 642.41
    butyl lactate 386.84
    diethyl carbonate 472.7
    propanediol butyl ether 662.72
    triethyl orthoformate 452.47
    p-tert-butyltoluene 265.96
    methyl 4-tert-butylbenzoate 540.72
    morpholine 4188.55
    tert-butylamine 1566.46
    n-dodecanol 315.44
    dimethoxymethane 1578.7
    ethylene carbonate 1096.17
    cyrene 517.67
    2-ethoxyethyl acetate 693.64
    2-ethylhexyl acetate 623.83
    1,2,4-trichlorobenzene 978.1
    4-methylpyridine 1831.53
    dibutyl ether 860.12
    2,6-dimethyl-4-heptanol 372.3
    DEF 1510.06
    dimethyl isosorbide 868.72
    tetrachloroethylene 1995.66
    eugenol 533.77
    triacetin 689.97
    span 80 563.63
    1,4-butanediol 576.87
    1,1-dichloroethane 3589.13
    2-methyl-1-pentanol 821.86
    methyl formate 1070.76
    2-methyl-1-butanol 1302.85
    n-decane 195.67
    butyronitrile 1828.09
    3,7-dimethyl-1-octanol 530.79
    1-chlorooctane 583.87
    1-chlorotetradecane 226.24
    n-nonane 229.56
    undecane 146.2
    tert-butylcyclohexane 277.96
    cyclooctane 290.06
    cyclopentanol 1682.31
    tetrahydropyran 4035.7
    tert-amyl methyl ether 1301.27
    2,5,8-trioxanonane 1054.9
    1-hexene 1327.81
    2-isopropoxyethanol 1018.82
    2,2,2-trifluoroethanol 608.33
    methyl butyrate 1252.11

    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