2-Methylanisole

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  • Identifiers

    CAS number
    578-58-5

    Molecular formula
    C8H10O

    SMILES
    CC1=CC=CC=C1OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1000.5
    • Carbowax: 1411.0

  • Odor profile

    Sweet 68.36%
    Phenolic 64.66%
    Nutty 63.16%
    Earthy 62.2%
    Anisic 56.14%
    Floral 52.22%
    Herbal 50.43%
    Spicy 42.99%
    Musty 41.02%
    Woody 39.56%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -34.1 °C

    Boiling point

    • 170.00 to 172.00 °C. @ 760.00 mm Hg

    Flash point est.
    48.38 ˚C

    Solubility expt.

    • Insoluble in water, soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • 2-Methylanisole
    • 578-58-5
    • 1-Methoxy-2-methylbenzene
    • o-Methylanisole
    • 2-Methoxytoluene
    • o-Cresol methyl ether
    • o-Methoxytoluene
    • o-Cresyl methyl ether
    • Anisole, o-methyl-
    • BENZENE, 1-METHOXY-2-METHYL-
    • 2-Methylmethoxybenzene
    • Methyl o-cresyl ether
    • Methyl o-tolyl ether
    • 1-methoxy-2-methyl-benzene
    • o-Methylanisol
    • Methyl-o-cresol
    • o-methyl anisole
    • Methoxytoluene, o-
    • FEMA No. 2680
    • Methyl o-methylphenyl ether
    • NSC 6253
    • O-Methyl-Anisole
    • ortho-methylanisole
    • UNII-09G73SL17K
    • FEMA 2680
    • 09G73SL17K
    • NSC-6253
    • EINECS 209-426-3
    • MFCD00008373
    • AI3-23983
    • O-METHYLANISOLE [FHFI]
    • DTXSID9060368
    • CHEBI:141702
    • methylanisole
    • oMethylanisole
    • 2Methoxytoluene
    • Anisole, omethyl
    • o-methoxy toluene
    • Methoxytoluene, o
    • Methyl otolyl ether
    • 2Methylmethoxybenzene
    • Methyl ocresyl ether
    • oCresol methyl ether
    • oCresyl methyl ether
    • 1Methoxy2methylbenzene
    • 2-Methylanisole, 99%
    • Benzene, 1methoxy2methyl
    • Anisole, O-methyl-(8ci)
    • SCHEMBL82813
    • Anisole, o-methyl- (8CI)
    • DTXCID3042261
    • SCHEMBL13322151
    • 2-Methylanisole, >=99%, FG
    • NSC6253
    • 2-Methylanisole, analytical standard
    • AKOS008947861
    • HY-W027751
    • PS-6207
    • DA-49439
    • PD158359
    • CS-0071775
    • M0150
    • NS00019733
    • EN300-41266
    • G15159
    • A831642
    • Q17267204
    • Z53834601
    • F0001-1506
    • 209-426-3

  • Applications

    2-Methylanisole (CAS 578-58-5) is a mildly aromatic solvent and versatile building block: fragrance houses use it to impart warm, sweet, slightly resinous-woody notes in perfumes, cosmetics and personal-care products; the flavour industry employs it as a subtle flavour modifier in confectionery, baked goods, alcoholic beverages and tobacco, enhancing an anise-like aftertaste; in pharmaceuticals and agrochemicals this 2-methoxy-toluene serves as an intermediate toward o-anisic acid, o-anisaldehyde and o-anisyl chloride for anti-inflammatory, antibacterial and veterinary drugs, herbicides and plant growth regulators; in polymer and electronic materials it functions as a comonomer/side chain in high-performance epoxy resins, photoresists, liquid-crystals and OLED emitters, while chemists exploit it as a selective extraction solvent, an odour reference marker and a standard reagent in GC and LC analyses.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2721.07
    methanol 3002.58
    isopropanol 1912.01
    water 16.6
    ethyl acetate 2890.72
    n-propanol 2237.31
    acetone 2380.73
    n-butanol 2071.92
    acetonitrile 3966.11
    DMF 1631.01
    toluene 1244.02
    isobutanol 1666.3
    1,4-dioxane 6736.71
    methyl acetate 2463.09
    THF 4137.13
    2-butanone 2099.39
    n-pentanol 1520.41
    sec-butanol 1692.34
    n-hexane 750.31
    ethylene glycol 568.65
    NMP 1524.56
    cyclohexane 956.72
    DMSO 2235.76
    n-butyl acetate 1950.4
    n-octanol 761.47
    chloroform 7536.8
    n-propyl acetate 1947.35
    acetic acid 2170.4
    dichloromethane 7935.61
    cyclohexanone 2761.83
    propylene glycol 496.67
    isopropyl acetate 1413.56
    DMAc 950.21
    2-ethoxyethanol 2454.81
    isopentanol 1632.11
    n-heptane 477.46
    ethyl formate 1854.98
    1,2-dichloroethane 4704.67
    n-hexanol 1378.35
    2-methoxyethanol 2900.9
    isobutyl acetate 1039.61
    tetrachloromethane 2258.86
    n-pentyl acetate 1016.39
    transcutol 3696.47
    n-heptanol 685.63
    ethylbenzene 683.11
    MIBK 1120.16
    2-propoxyethanol 2114.04
    tert-butanol 2268.49
    MTBE 2447.21
    2-butoxyethanol 1091.15
    propionic acid 1767.07
    o-xylene 651.41
    formic acid 867.17
    diethyl ether 4110.9
    m-xylene 735.44
    p-xylene 813.05
    chlorobenzene 1771.64
    dimethyl carbonate 717.71
    n-octane 208.97
    formamide 1215.12
    cyclopentanone 2438.37
    2-pentanone 1794.59
    anisole 1531.68
    cyclopentyl methyl ether 2390.34
    gamma-butyrolactone 3057.93
    1-methoxy-2-propanol 1655.79
    pyridine 2792.99
    3-pentanone 1446.67
    furfural 2371.55
    n-dodecane 129.53
    diethylene glycol 1408.19
    diisopropyl ether 1041.45
    tert-amyl alcohol 1765.65
    acetylacetone 1469.51
    n-hexadecane 147.37
    acetophenone 952.38
    methyl propionate 1661.56
    isopentyl acetate 1302.83
    trichloroethylene 6197.3
    n-nonanol 640.65
    cyclohexanol 1792.98
    benzyl alcohol 947.72
    2-ethylhexanol 900.08
    isooctanol 575.02
    dipropyl ether 1515.87
    1,2-dichlorobenzene 1485.38
    ethyl lactate 581.89
    propylene carbonate 1636.18
    n-methylformamide 1520.02
    2-pentanol 1453.6
    n-pentane 662.86
    1-propoxy-2-propanol 1332.72
    1-methoxy-2-propyl acetate 1166.44
    2-(2-methoxypropoxy) propanol 775.27
    mesitylene 516.0
    ε-caprolactone 2544.76
    p-cymene 403.47
    epichlorohydrin 4705.17
    1,1,1-trichloroethane 4348.05
    2-aminoethanol 990.54
    morpholine-4-carbaldehyde 2525.69
    sulfolane 2826.5
    2,2,4-trimethylpentane 284.16
    2-methyltetrahydrofuran 4008.35
    n-hexyl acetate 1319.15
    isooctane 245.08
    2-(2-butoxyethoxy)ethanol 1182.64
    sec-butyl acetate 1100.31
    tert-butyl acetate 1490.04
    decalin 366.38
    glycerin 659.09
    diglyme 2539.99
    acrylic acid 1326.74
    isopropyl myristate 507.29
    n-butyric acid 2270.47
    acetyl acetate 1403.4
    di(2-ethylhexyl) phthalate 327.05
    ethyl propionate 1528.3
    nitromethane 3656.28
    1,2-diethoxyethane 2169.38
    benzonitrile 1452.85
    trioctyl phosphate 290.74
    1-bromopropane 2963.95
    gamma-valerolactone 3232.42
    n-decanol 462.86
    triethyl phosphate 486.5
    4-methyl-2-pentanol 701.72
    propionitrile 2480.17
    vinylene carbonate 1646.14
    1,1,2-trichlorotrifluoroethane 2030.15
    DMS 889.08
    cumene 473.79
    2-octanol 540.89
    2-hexanone 1548.12
    octyl acetate 614.75
    limonene 624.66
    1,2-dimethoxyethane 3746.41
    ethyl orthosilicate 497.36
    tributyl phosphate 382.56
    diacetone alcohol 1183.41
    N,N-dimethylaniline 768.32
    acrylonitrile 2451.88
    aniline 1376.02
    1,3-propanediol 1594.05
    bromobenzene 1908.61
    dibromomethane 5277.3
    1,1,2,2-tetrachloroethane 4567.36
    2-methyl-cyclohexyl acetate 713.43
    tetrabutyl urea 413.74
    diisobutyl methanol 493.01
    2-phenylethanol 853.22
    styrene 934.42
    dioctyl adipate 597.66
    dimethyl sulfate 864.26
    ethyl butyrate 1369.93
    methyl lactate 577.1
    butyl lactate 544.38
    diethyl carbonate 920.31
    propanediol butyl ether 732.02
    triethyl orthoformate 816.9
    p-tert-butyltoluene 387.14
    methyl 4-tert-butylbenzoate 709.39
    morpholine 5275.74
    tert-butylamine 1691.93
    n-dodecanol 360.39
    dimethoxymethane 1866.97
    ethylene carbonate 1649.22
    cyrene 664.79
    2-ethoxyethyl acetate 1220.68
    2-ethylhexyl acetate 1061.68
    1,2,4-trichlorobenzene 1569.56
    4-methylpyridine 2443.14
    dibutyl ether 1215.63
    2,6-dimethyl-4-heptanol 493.01
    DEF 1889.27
    dimethyl isosorbide 1239.03
    tetrachloroethylene 3577.4
    eugenol 691.75
    triacetin 807.57
    span 80 641.86
    1,4-butanediol 732.0
    1,1-dichloroethane 4317.96
    2-methyl-1-pentanol 1243.92
    methyl formate 1349.49
    2-methyl-1-butanol 1614.64
    n-decane 234.62
    butyronitrile 2607.26
    3,7-dimethyl-1-octanol 668.4
    1-chlorooctane 745.14
    1-chlorotetradecane 278.77
    n-nonane 267.23
    undecane 166.06
    tert-butylcyclohexane 366.67
    cyclooctane 383.93
    cyclopentanol 1647.98
    tetrahydropyran 4846.33
    tert-amyl methyl ether 1605.04
    2,5,8-trioxanonane 1433.12
    1-hexene 1512.88
    2-isopropoxyethanol 1588.47
    2,2,2-trifluoroethanol 857.46
    methyl butyrate 1904.38

    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

Botanical

Name CAS Botanical Proportion
Mastic gum (Greece) 1 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.44%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.02%
Olibanum, Frankincense (Egypt) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 0.17%
Mastic gum (Greece) 2 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.44%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.02%
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.02%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 1.3%