Methyl 2-Methoxybenzoate

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  • Identifiers

    CAS number
    606-45-1

    Molecular formula
    C9H10O3

    SMILES
    COC1=CC=CC=C1C(=O)OC

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2051.5

  • Odor profile

    Fruity 83.02%
    Floral 70.21%
    Sweet 69.18%
    Herbal 55.86%
    Anisic 50.07%
    Cherry 42.39%
    Green 34.73%
    Spicy 33.19%
    Winey 32.76%
    Mint 32.3%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.38 (neutral)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 48.00 to 49.00 °C. @ 760.00 mm Hg

    Boiling point

    • 254.00 to 255.00 °C. @ 760.00 mm Hg

    Flash point est.
    97.32 ˚C

    Solubility expt.

    • very slightly soluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Methyl 2-methoxybenzoate
    • 606-45-1
    • Methyl o-anisate
    • Dimethyl salicylate
    • Methyl o-methoxybenzoate
    • o-Anisic acid, methyl ester
    • o-Methoxy methyl benzoate
    • BENZOIC ACID, 2-METHOXY-, METHYL ESTER
    • Methylsalicylate methyl ether
    • o-Methoxybenzoic acid methyl ester
    • 2-Methoxybenzoic acid, methyl ester
    • FEMA No. 2717
    • Methyol o-methoxybenzoate
    • Methyl salicylate o-methyl ether
    • Methoxy methylbenzoate, o-
    • methyl ortho-anisate
    • 2-Methoxybenzoic Acid Methyl Ester
    • UNII-SB18J2MCQL
    • SB18J2MCQL
    • EINECS 210-118-6
    • NSC 406256
    • BRN 2207356
    • DTXSID5047087
    • AI3-00680
    • methyl-o-methoxybenzoate
    • O-Methoxy methylbenzoate
    • Methyl o-methoxy benzoate
    • Dimethyl derivative of Salicylic acid
    • MFCD00008423
    • Methyl ester of o-Methoxybenzoic acid
    • NSC-406256
    • DTXCID3027087
    • FEMA 2717
    • 2-methoxy-benzoic acid methyl ester
    • 4-10-00-00144 (Beilstein Handbook Reference)
    • o-Methoxybenzoic acid, methyl ester
    • METHYL O-METHOXYBENZOATE [FHFI]
    • Benzoic acid, o-methoxy-, methyl ester
    • METHYL SALICYLATE IMPURITY M [EP IMPURITY]
    • methyl2-methoxybenzoate
    • METHYL SALICYLATE IMPURITY M (EP IMPURITY)
    • Methyl 2-anisate
    • o-Anisic acid, methyl ester (7CI,8CI)
    • Methyl 2-methoxy-benzoate
    • o-Anisic Acid Methyl Ester
    • Methyl 2-methoxybenzoic acid
    • SCHEMBL196037
    • CHEMBL2252121
    • Methyl 2-methoxybenzoate, 99%
    • CHEBI:173749
    • Methyl 2-methoxybenzoate, >=97%
    • 2-Methoxy benzoic acid methyl ester
    • Tox21_302334
    • BBL010503
    • NSC406256
    • STL146150
    • AKOS005715211
    • CCG-327692
    • FM36570
    • GS-6864
    • NCGC00256043-01
    • CAS-606-45-1
    • SY048778
    • DB-013416
    • A0483
    • CS-0014015
    • NS00012846
    • EN300-49136
    • H10356
    • AE-562/40238261
    • Q27289122
    • Z19711922

  • Applications

    Methyl 2-methoxybenzoate (methyl o-anisate, CAS 606-45-1) is a fragrant ester with a mild sweet odor, widely employed as a perfumery ingredient in fine fragrances, soaps, cosmetics and food flavorings; beyond aroma applications, it serves as an intermediate for synthesizing pharmaceuticals (e.g., anti-inflammatory and antimicrobial agents), agrochemicals, organic dyes, functions as a specialized solvent and analytical standard in chromatographic/spectroscopic studies, and offers a convenient starting point for preparing other 2-methoxybenzoic derivatives used in advanced organic materials research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 200.48
    methanol 253.78
    isopropanol 134.63
    water 0.92
    ethyl acetate 198.64
    n-propanol 139.46
    acetone 292.84
    n-butanol 126.49
    acetonitrile 321.54
    DMF 742.67
    toluene 172.25
    isobutanol 104.9
    1,4-dioxane 524.66
    methyl acetate 290.68
    THF 428.46
    2-butanone 237.92
    n-pentanol 108.27
    sec-butanol 116.05
    n-hexane 14.41
    ethylene glycol 170.46
    NMP 401.58
    cyclohexane 48.46
    DMSO 545.29
    n-butyl acetate 109.22
    n-octanol 85.69
    chloroform 1049.17
    n-propyl acetate 132.88
    acetic acid 215.48
    dichloromethane 1139.6
    cyclohexanone 338.88
    propylene glycol 88.58
    isopropyl acetate 96.31
    DMAc 436.71
    2-ethoxyethanol 247.82
    isopentanol 98.29
    n-heptane 21.29
    ethyl formate 273.29
    1,2-dichloroethane 599.03
    n-hexanol 116.92
    2-methoxyethanol 445.19
    isobutyl acetate 78.3
    tetrachloromethane 167.25
    n-pentyl acetate 83.85
    transcutol 239.24
    n-heptanol 74.18
    ethylbenzene 104.14
    MIBK 93.62
    2-propoxyethanol 225.58
    tert-butanol 176.79
    MTBE 116.03
    2-butoxyethanol 134.7
    propionic acid 168.63
    o-xylene 127.57
    formic acid 115.68
    diethyl ether 144.87
    m-xylene 115.36
    p-xylene 134.54
    chlorobenzene 256.92
    dimethyl carbonate 171.15
    n-octane 13.12
    formamide 252.11
    cyclopentanone 403.11
    2-pentanone 157.16
    anisole 202.06
    cyclopentyl methyl ether 175.8
    gamma-butyrolactone 490.94
    1-methoxy-2-propanol 239.72
    pyridine 440.47
    3-pentanone 143.04
    furfural 519.02
    n-dodecane 13.05
    diethylene glycol 248.83
    diisopropyl ether 39.72
    tert-amyl alcohol 138.57
    acetylacetone 215.76
    n-hexadecane 15.12
    acetophenone 188.33
    methyl propionate 209.89
    isopentyl acetate 90.91
    trichloroethylene 1078.88
    n-nonanol 75.5
    cyclohexanol 156.48
    benzyl alcohol 198.57
    2-ethylhexanol 80.56
    isooctanol 60.58
    dipropyl ether 87.77
    1,2-dichlorobenzene 250.23
    ethyl lactate 100.47
    propylene carbonate 276.96
    n-methylformamide 417.49
    2-pentanol 75.12
    n-pentane 15.43
    1-propoxy-2-propanol 124.5
    1-methoxy-2-propyl acetate 120.95
    2-(2-methoxypropoxy) propanol 117.06
    mesitylene 75.5
    ε-caprolactone 260.95
    p-cymene 64.63
    epichlorohydrin 598.99
    1,1,1-trichloroethane 463.47
    2-aminoethanol 162.46
    morpholine-4-carbaldehyde 460.57
    sulfolane 548.03
    2,2,4-trimethylpentane 12.48
    2-methyltetrahydrofuran 255.39
    n-hexyl acetate 121.24
    isooctane 9.61
    2-(2-butoxyethoxy)ethanol 150.29
    sec-butyl acetate 75.28
    tert-butyl acetate 103.74
    decalin 28.79
    glycerin 164.85
    diglyme 305.34
    acrylic acid 197.77
    isopropyl myristate 58.43
    n-butyric acid 184.32
    acetyl acetate 144.04
    di(2-ethylhexyl) phthalate 65.58
    ethyl propionate 129.86
    nitromethane 484.88
    1,2-diethoxyethane 114.84
    benzonitrile 248.29
    trioctyl phosphate 51.88
    1-bromopropane 222.17
    gamma-valerolactone 466.8
    n-decanol 58.97
    triethyl phosphate 78.76
    4-methyl-2-pentanol 47.32
    propionitrile 233.45
    vinylene carbonate 318.42
    1,1,2-trichlorotrifluoroethane 467.59
    DMS 122.07
    cumene 70.1
    2-octanol 53.41
    2-hexanone 130.52
    octyl acetate 77.35
    limonene 86.05
    1,2-dimethoxyethane 423.99
    ethyl orthosilicate 68.42
    tributyl phosphate 55.88
    diacetone alcohol 148.85
    N,N-dimethylaniline 141.93
    acrylonitrile 362.08
    aniline 212.19
    1,3-propanediol 206.43
    bromobenzene 282.19
    dibromomethane 646.03
    1,1,2,2-tetrachloroethane 750.11
    2-methyl-cyclohexyl acetate 95.93
    tetrabutyl urea 82.3
    diisobutyl methanol 53.23
    2-phenylethanol 154.56
    styrene 136.51
    dioctyl adipate 87.03
    dimethyl sulfate 256.06
    ethyl butyrate 119.24
    methyl lactate 137.45
    butyl lactate 77.67
    diethyl carbonate 107.09
    propanediol butyl ether 107.68
    triethyl orthoformate 82.69
    p-tert-butyltoluene 61.13
    methyl 4-tert-butylbenzoate 140.05
    morpholine 464.46
    tert-butylamine 104.14
    n-dodecanol 47.98
    dimethoxymethane 387.39
    ethylene carbonate 252.8
    cyrene 158.85
    2-ethoxyethyl acetate 112.63
    2-ethylhexyl acetate 75.27
    1,2,4-trichlorobenzene 275.51
    4-methylpyridine 339.17
    dibutyl ether 72.15
    2,6-dimethyl-4-heptanol 53.23
    DEF 251.93
    dimethyl isosorbide 198.24
    tetrachloroethylene 544.83
    eugenol 149.35
    triacetin 124.41
    span 80 101.69
    1,4-butanediol 102.66
    1,1-dichloroethane 420.74
    2-methyl-1-pentanol 93.05
    methyl formate 399.97
    2-methyl-1-butanol 98.43
    n-decane 18.98
    butyronitrile 211.77
    3,7-dimethyl-1-octanol 73.97
    1-chlorooctane 73.5
    1-chlorotetradecane 34.86
    n-nonane 18.54
    undecane 15.32
    tert-butylcyclohexane 23.11
    cyclooctane 17.56
    cyclopentanol 176.1
    tetrahydropyran 282.32
    tert-amyl methyl ether 97.43
    2,5,8-trioxanonane 217.41
    1-hexene 53.01
    2-isopropoxyethanol 145.53
    2,2,2-trifluoroethanol 126.61
    methyl butyrate 187.77

    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
Gaura drummondii flower Gaura drummondii L., fam. Oenotheraceae 4.8%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.39%
Hyacinth, living flower headspace 1a Hyacinthus orientalis L., fam. Liliaceae 0.25%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.1%
Daphne tangutica flower concrete (China) Daphne tangutica Maxim., fam. Thymelaeaceae 0.51%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.03%
Ylang Ylang (China) 4 68606-83-7 Cananga odorata (Lamk.) Hook. f. et Thomson, fam. Annonaceae 0.29%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.6%
Birch, Sweet (USA - Pennsylvania) Betula lenta L., fam. Betulaceae 0.04%