2-Methoxybenzoic acid

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  • Identifiers

    CAS number
    579-75-9

    Molecular formula
    C8H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 60.16%
    Sweet 45.57%
    Balsamic 40.44%
    Odorless 39.21%
    Aromatic 38.51%
    Vanilla 34.84%
    Medicinal 34.8%
    Animal 33.12%
    Spicy 33.08%
    Herbal 29.07%

     

    Flavor
    Sweet 69.06%
    Balsam 48.04%
    Phenolic 42.01%
    Faint 39.02%
    Balsamic 36.6%
    Powdery 35.2%
    Nutty 30.03%
    Wintergreen 28.8%
    Honey 28.3%
    Creamy 27.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.25 (neutral)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 106 °C

    Boiling point

    • 279.00 to 280.00 °C. @ 760.00 mm Hg

    Flash point

    • 126.26 ˚C est.

    Solubility expt.

    • 5 mg/mL at 30 °C
    • soluble in boiling water, organic solvents
    • freely soluble (in ethanol)

  • Synonyms

    • 2-METHOXYBENZOIC ACID
    • o-Anisic acid
    • 579-75-9
    • O-Methylsalicylic acid
    • o-Methoxybenzoic acid
    • Benzoic acid, 2-methoxy-
    • 2-Anisic acid
    • Salicylic acid methyl ether
    • 529-75-9
    • 2-Methoxy-benzoic acid
    • 2-Methoxybenzoicacid
    • O-Methoxy benzoic acid
    • MFCD00002431
    • CHEBI:421840
    • Kyselina 2-methoxybenzoova
    • UNII-49WA6Z7GZA
    • NSC 3778
    • EINECS 209-447-8
    • 49WA6Z7GZA
    • BRN 0509929
    • AI3-20226
    • O-Anisic acid, 8CI
    • ortho-methoxybenzoic acid
    • NSC-3778
    • BENZOIC ACID,2-METHOXY
    • METHOXYBENZOIC ACID, O-
    • DTXSID3060376
    • FEMA NO. 3943
    • FEMA 3943
    • 4-10-00-00130 (Beilstein Handbook Reference)
    • 2-METHOXYBENZOIC ACID [FHFI]
    • Kyselina 2-methoxybenzoova [Czech]
    • o-anisate
    • oAnisic acid
    • o-methoxybenzoate
    • 2Anisic acid
    • 2-Anisate
    • 2-methoxy-benzoate
    • 71F
    • o-Anisic Acid; 2-Methoxybenzoic Acid; NSC 3778; O-Methylsalicylic Acid; Salicylic Acid Methyl Ether; o-Methoxybenzoic Acid
    • oMethoxybenzoic acid
    • ortho-methoxybenzoate
    • OMethylsalicylic acid
    • methyl salicylic acid
    • anisole carboxylic acid
    • Salicylate methyl ether
    • 2-methoxy benzoic acid
    • Benzoic acid, 2methoxy
    • Kyselina 2methoxybenzoova
    • Epitope ID:124944
    • 1-carboxy-2-methoxybenzene
    • o-Anisic acid, >=99%
    • SCHEMBL3527
    • TimTec1_004173
    • CHEMBL192311
    • DTXCID6042282
    • NSC3778
    • HMS1545N15
    • HY-N1393
    • AB2883
    • BBL036896
    • s6295
    • STL168881
    • AKOS000103118
    • AC-3023
    • CS-W019888
    • FM00504
    • PS-5405
    • o-Anisic acid;Salicylic acid methyl ether
    • SY003594
    • DB-014137
    • DB-030864
    • A0481
    • A1729
    • NS00015109
    • 2-Methoxybenzoic acid, ReagentPlus(R), 99%
    • EN300-18034
    • AQ-344/40173719
    • Q2018545
    • 2-Methoxybenzoic acid, Vetec(TM) reagent grade, 98%
    • Z57127524
    • F9995-1670

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 262.22
    methanol 324.45
    isopropanol 161.11
    water 1.57
    ethyl acetate 157.1
    n-propanol 169.49
    acetone 336.44
    n-butanol 143.24
    acetonitrile 187.02
    DMF 835.63
    toluene 41.39
    isobutanol 104.82
    1,4-dioxane 485.91
    methyl acetate 156.33
    THF 1087.2
    2-butanone 190.2
    n-pentanol 109.93
    sec-butanol 112.17
    n-hexane 11.21
    ethylene glycol 190.96
    NMP 406.55
    cyclohexane 6.79
    DMSO 1351.51
    n-butyl acetate 77.77
    n-octanol 71.76
    chloroform 195.02
    n-propyl acetate 88.55
    acetic acid 123.31
    dichloromethane 221.6
    cyclohexanone 199.48
    propylene glycol 116.08
    isopropyl acetate 92.07
    DMAc 306.39
    2-ethoxyethanol 237.76
    isopentanol 102.27
    n-heptane 8.71
    ethyl formate 126.03
    1,2-dichloroethane 215.76
    n-hexanol 117.5
    2-methoxyethanol 492.62
    isobutyl acetate 56.67
    tetrachloromethane 33.47
    n-pentyl acetate 58.29
    transcutol 209.43
    n-heptanol 69.66
    ethylbenzene 34.06
    MIBK 121.38
    2-propoxyethanol 255.83
    tert-butanol 195.2
    MTBE 117.82
    2-butoxyethanol 124.89
    propionic acid 110.59
    o-xylene 34.76
    formic acid 98.47
    diethyl ether 156.83
    m-xylene 46.53
    p-xylene 38.95
    chlorobenzene 66.73
    dimethyl carbonate 124.28
    n-octane 5.74
    formamide 190.2
    cyclopentanone 432.57
    2-pentanone 194.04
    anisole 108.62
    cyclopentyl methyl ether 224.37
    gamma-butyrolactone 508.08
    1-methoxy-2-propanol 320.51
    pyridine 139.78
    3-pentanone 111.54
    furfural 272.75
    n-dodecane 6.69
    diethylene glycol 292.1
    diisopropyl ether 42.73
    tert-amyl alcohol 126.18
    acetylacetone 223.52
    n-hexadecane 7.67
    acetophenone 82.74
    methyl propionate 163.47
    isopentyl acetate 66.44
    trichloroethylene 264.94
    n-nonanol 62.25
    cyclohexanol 100.79
    benzyl alcohol 83.54
    2-ethylhexanol 59.36
    isooctanol 54.1
    dipropyl ether 67.99
    1,2-dichlorobenzene 64.82
    ethyl lactate 75.02
    propylene carbonate 167.43
    n-methylformamide 349.33
    2-pentanol 89.97
    n-pentane 8.74
    1-propoxy-2-propanol 141.33
    1-methoxy-2-propyl acetate 106.36
    2-(2-methoxypropoxy) propanol 94.88
    mesitylene 34.89
    ε-caprolactone 154.56
    p-cymene 25.56
    epichlorohydrin 542.95
    1,1,1-trichloroethane 136.51
    2-aminoethanol 203.32
    morpholine-4-carbaldehyde 351.22
    sulfolane 669.22
    2,2,4-trimethylpentane 7.58
    2-methyltetrahydrofuran 326.77
    n-hexyl acetate 86.32
    isooctane 8.43
    2-(2-butoxyethoxy)ethanol 133.64
    sec-butyl acetate 57.05
    tert-butyl acetate 118.29
    decalin 10.11
    glycerin 201.87
    diglyme 224.62
    acrylic acid 107.3
    isopropyl myristate 41.38
    n-butyric acid 125.56
    acetyl acetate 83.54
    di(2-ethylhexyl) phthalate 38.78
    ethyl propionate 93.1
    nitromethane 336.78
    1,2-diethoxyethane 77.95
    benzonitrile 79.79
    trioctyl phosphate 39.26
    1-bromopropane 106.57
    gamma-valerolactone 371.84
    n-decanol 49.58
    triethyl phosphate 42.54
    4-methyl-2-pentanol 58.45
    propionitrile 132.87
    vinylene carbonate 133.13
    1,1,2-trichlorotrifluoroethane 244.99
    DMS 78.43
    cumene 27.19
    2-octanol 50.49
    2-hexanone 109.33
    octyl acetate 54.01
    limonene 34.45
    1,2-dimethoxyethane 337.34
    ethyl orthosilicate 38.86
    tributyl phosphate 38.6
    diacetone alcohol 172.58
    N,N-dimethylaniline 72.9
    acrylonitrile 180.01
    aniline 78.17
    1,3-propanediol 239.19
    bromobenzene 60.27
    dibromomethane 146.06
    1,1,2,2-tetrachloroethane 211.98
    2-methyl-cyclohexyl acetate 54.62
    tetrabutyl urea 56.93
    diisobutyl methanol 41.83
    2-phenylethanol 87.71
    styrene 38.85
    dioctyl adipate 52.43
    dimethyl sulfate 250.79
    ethyl butyrate 62.24
    methyl lactate 124.93
    butyl lactate 54.47
    diethyl carbonate 43.57
    propanediol butyl ether 105.32
    triethyl orthoformate 44.56
    p-tert-butyltoluene 28.14
    methyl 4-tert-butylbenzoate 89.1
    morpholine 465.53
    tert-butylamine 93.52
    n-dodecanol 38.95
    dimethoxymethane 468.13
    ethylene carbonate 110.15
    cyrene 116.77
    2-ethoxyethyl acetate 72.01
    2-ethylhexyl acetate 51.05
    1,2,4-trichlorobenzene 72.86
    4-methylpyridine 129.07
    dibutyl ether 50.08
    2,6-dimethyl-4-heptanol 41.83
    DEF 181.56
    dimethyl isosorbide 157.37
    tetrachloroethylene 129.67
    eugenol 97.77
    triacetin 65.85
    span 80 79.6
    1,4-butanediol 113.51
    1,1-dichloroethane 159.38
    2-methyl-1-pentanol 77.19
    methyl formate 280.59
    2-methyl-1-butanol 90.16
    n-decane 9.83
    butyronitrile 139.83
    3,7-dimethyl-1-octanol 55.71
    1-chlorooctane 42.46
    1-chlorotetradecane 19.95
    n-nonane 8.98
    undecane 8.08
    tert-butylcyclohexane 12.24
    cyclooctane 4.34
    cyclopentanol 166.51
    tetrahydropyran 264.77
    tert-amyl methyl ether 86.21
    2,5,8-trioxanonane 159.39
    1-hexene 44.81
    2-isopropoxyethanol 140.8
    2,2,2-trifluoroethanol 72.59
    methyl butyrate 120.86

    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