Methyl 2,4-Dihydroxybenzoate

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  • Identifiers

    CAS number
    2150-47-2

    Molecular formula
    C8H8O4

    SMILES
    COC(=O)C1=C(C=C(C=C1)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 65.88%
    Odorless 43.08%
    Sweet 39.18%
    Medicinal 34.24%
    Aromatic 30.6%
    Burnt 27.71%
    Woody 27.52%
    Nutty 27.44%
    Vanilla 26.81%
    Bitter 26.22%

     

    Flavor
    Bitter 55.1%
    Odorless 35.82%
    Phenolic 29.9%
    Mild 28.49%
    Wintergreen 23.99%
    Bland 23.39%
    Ethyl benzoate 21.99%
    Faint 21.52%
    Orange flower 21.31%
    Parsley 21.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.65 (weak base)

    Molecular weight
    168.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 146.01 ˚C est.

  • Synonyms

    • METHYL 2,4-DIHYDROXYBENZOATE
    • 2150-47-2
    • 2,4-Dihydroxybenzoic acid methyl ester
    • Methyl beta-resorcylate
    • Benzoic acid, 2,4-dihydroxy-, methyl ester
    • Methyl-2,4-dihydroxybenzoate
    • .beta.-Resorcylic acid, methyl ester
    • Methyl .beta.-resorcylate
    • XE68BU3OYJ
    • ORISTAR MDHB24
    • EINECS 218-428-3
    • AI3-31503
    • DTXSID2022177
    • RefChem:812940
    • DTXCID302177
    • beta-Resorcylic acid, methyl ester
    • METHYL 2,4-DIHYDROXYBENZOATE [INCI]
    • 218-428-3
    • MFCD00002276
    • methyl b-resorcylate
    • CHEMBL486026
    • methyl 2,4-bis(oxidanyl)benzoate
    • 2,4-Dihydroxy-benzoic acid methyl ester
    • beta-Resorcylic Acid Methyl Ester
    • Methyl benzoate, 2,4-dihydroxy-
    • 2,4-Dihydroxybenzoic Acid Methyl Ester; Methyl 2,4-Dihydroxybenzoate; beta-Resorcylic Acid Methyl Ester;
    • UNII-XE68BU3OYJ
    • Methyl 4-hydroxysalicylate
    • methyl 2,4 dihydroxybenzoate
    • SCHEMBL382883
    • methyl 2,4-dihydroxy-benzoate
    • orb1297033
    • SCHEMBL30917273
    • BB_SC-12620
    • BBL036382
    • BDBM50428378
    • CK2219
    • EBC-03288
    • Methyl 2,4-dihydroxybenzoate, 97%
    • SBB040072
    • STL194098
    • AKOS000271195
    • AC-8707
    • CS-W010792
    • FM70757
    • HY-W010076
    • AC-11617
    • DS-15488
    • SY015923
    • DB-045603
    • M1796
    • NS00026885
    • ST45025578
    • EN300-109864
    • 150M472
    • AH-034/32464017
    • F093494
    • Q27293803
    • Z25218921
    • F1982-0001
    • InChI=1/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H
    • HF9
    • 2150-47-2

  • Applications

    Methyl 2,4-Dihydroxybenzoate (CAS 2150-47-2) may be used primarily as an intermediate in the synthesis of specialty chemicals, including pharmaceuticals, agrochemicals, and dyes or pigments. It can serve as a building block for fragrance materials and cosmetic ingredients due to its dihydroxybenzoate structure. It is also considered a potential precursor for polymer and coating formulations, where phenolic esters can act as antioxidants or stabilizers in some systems. In addition, it may be evaluated as an analytical or research chemical in process development and scale-up for organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 206.18
    methanol 227.46
    isopropanol 168.48
    water 2.95
    ethyl acetate 101.75
    n-propanol 137.75
    acetone 252.65
    n-butanol 110.24
    acetonitrile 68.23
    DMF 724.22
    toluene 5.92
    isobutanol 75.53
    1,4-dioxane 104.86
    methyl acetate 106.49
    THF 547.39
    2-butanone 137.89
    n-pentanol 73.79
    sec-butanol 121.17
    n-hexane 2.14
    ethylene glycol 131.27
    NMP 477.37
    cyclohexane 0.8
    DMSO 1427.05
    n-butyl acetate 46.95
    n-octanol 28.51
    chloroform 15.89
    n-propyl acetate 64.23
    acetic acid 131.62
    dichloromethane 22.49
    cyclohexanone 100.21
    propylene glycol 147.15
    isopropyl acetate 60.38
    DMAc 397.95
    2-ethoxyethanol 203.39
    isopentanol 82.49
    n-heptane 1.88
    ethyl formate 71.53
    1,2-dichloroethane 31.85
    n-hexanol 59.94
    2-methoxyethanol 403.5
    isobutyl acetate 23.99
    tetrachloromethane 5.94
    n-pentyl acetate 27.57
    transcutol 284.16
    n-heptanol 28.99
    ethylbenzene 6.21
    MIBK 83.46
    2-propoxyethanol 165.68
    tert-butanol 192.91
    MTBE 71.05
    2-butoxyethanol 70.85
    propionic acid 105.05
    o-xylene 8.35
    formic acid 161.42
    diethyl ether 76.15
    m-xylene 9.44
    p-xylene 6.53
    chlorobenzene 9.57
    dimethyl carbonate 103.64
    n-octane 0.66
    formamide 335.66
    cyclopentanone 250.56
    2-pentanone 136.95
    anisole 45.94
    cyclopentyl methyl ether 120.14
    gamma-butyrolactone 325.23
    1-methoxy-2-propanol 343.86
    pyridine 39.36
    3-pentanone 74.76
    furfural 179.26
    n-dodecane 0.74
    diethylene glycol 197.66
    diisopropyl ether 21.57
    tert-amyl alcohol 140.26
    acetylacetone 160.1
    n-hexadecane 0.84
    acetophenone 52.72
    methyl propionate 124.06
    isopentyl acetate 38.3
    trichloroethylene 50.17
    n-nonanol 24.62
    cyclohexanol 50.81
    benzyl alcohol 42.7
    2-ethylhexanol 26.9
    isooctanol 22.39
    dipropyl ether 30.56
    1,2-dichlorobenzene 13.41
    ethyl lactate 71.09
    propylene carbonate 131.74
    n-methylformamide 316.43
    2-pentanol 86.5
    n-pentane 2.16
    1-propoxy-2-propanol 106.8
    1-methoxy-2-propyl acetate 87.53
    2-(2-methoxypropoxy) propanol 88.24
    mesitylene 6.98
    ε-caprolactone 99.45
    p-cymene 7.75
    epichlorohydrin 270.6
    1,1,1-trichloroethane 21.17
    2-aminoethanol 163.6
    morpholine-4-carbaldehyde 271.93
    sulfolane 550.16
    2,2,4-trimethylpentane 2.24
    2-methyltetrahydrofuran 176.24
    n-hexyl acetate 46.22
    isooctane 1.88
    2-(2-butoxyethoxy)ethanol 107.61
    sec-butyl acetate 37.62
    tert-butyl acetate 85.34
    decalin 1.54
    glycerin 260.5
    diglyme 175.04
    acrylic acid 107.86
    isopropyl myristate 17.67
    n-butyric acid 94.09
    acetyl acetate 51.05
    di(2-ethylhexyl) phthalate 20.98
    ethyl propionate 70.69
    nitromethane 344.35
    1,2-diethoxyethane 46.48
    benzonitrile 26.88
    trioctyl phosphate 19.41
    1-bromopropane 15.57
    gamma-valerolactone 246.92
    n-decanol 17.8
    triethyl phosphate 28.54
    4-methyl-2-pentanol 43.39
    propionitrile 55.21
    vinylene carbonate 83.31
    1,1,2-trichlorotrifluoroethane 178.46
    DMS 53.4
    cumene 6.75
    2-octanol 19.77
    2-hexanone 76.01
    octyl acetate 25.7
    limonene 12.0
    1,2-dimethoxyethane 229.52
    ethyl orthosilicate 23.65
    tributyl phosphate 22.25
    diacetone alcohol 172.04
    N,N-dimethylaniline 36.55
    acrylonitrile 75.71
    aniline 28.18
    1,3-propanediol 190.33
    bromobenzene 6.21
    dibromomethane 12.45
    1,1,2,2-tetrachloroethane 44.39
    2-methyl-cyclohexyl acetate 33.47
    tetrabutyl urea 32.99
    diisobutyl methanol 17.21
    2-phenylethanol 40.67
    styrene 6.33
    dioctyl adipate 31.1
    dimethyl sulfate 236.73
    ethyl butyrate 40.56
    methyl lactate 151.56
    butyl lactate 40.5
    diethyl carbonate 29.94
    propanediol butyl ether 90.95
    triethyl orthoformate 30.86
    p-tert-butyltoluene 8.44
    methyl 4-tert-butylbenzoate 57.57
    morpholine 179.81
    tert-butylamine 66.75
    n-dodecanol 12.27
    dimethoxymethane 330.53
    ethylene carbonate 66.66
    cyrene 104.85
    2-ethoxyethyl acetate 48.6
    2-ethylhexyl acetate 26.66
    1,2,4-trichlorobenzene 18.19
    4-methylpyridine 44.56
    dibutyl ether 17.81
    2,6-dimethyl-4-heptanol 17.21
    DEF 154.6
    dimethyl isosorbide 128.8
    tetrachloroethylene 27.48
    eugenol 57.79
    triacetin 57.99
    span 80 58.58
    1,4-butanediol 73.6
    1,1-dichloroethane 23.58
    2-methyl-1-pentanol 51.8
    methyl formate 220.78
    2-methyl-1-butanol 77.78
    n-decane 1.28
    butyronitrile 53.99
    3,7-dimethyl-1-octanol 25.78
    1-chlorooctane 8.01
    1-chlorotetradecane 2.93
    n-nonane 1.17
    undecane 0.97
    tert-butylcyclohexane 1.97
    cyclooctane 0.65
    cyclopentanol 104.43
    tetrahydropyran 69.97
    tert-amyl methyl ether 64.17
    2,5,8-trioxanonane 124.48
    1-hexene 9.77
    2-isopropoxyethanol 110.3
    2,2,2-trifluoroethanol 86.42
    methyl butyrate 86.87

    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