Methyl 2,6-dihydroxybenzoate

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  • Identifiers

    CAS number
    2150-45-0

    Molecular formula
    C8H8O4

    SMILES
    COC(=O)C1=C(C=CC=C1O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Phenolic 64.15%
    Sweet 43.56%
    Odorless 38.82%
    Medicinal 33.52%
    Woody 32.17%
    Aromatic 29.3%
    Spicy 28.04%
    Balsamic 27.26%
    Burnt 25.87%
    Smoky 25.73%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.16 (weak base)

    Molecular weight
    168.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point est.
    138.18 ˚C

  • Synonyms

    • Methyl 2,6-dihydroxybenzoate
    • 2150-45-0
    • 2,6-Dihydroxybenzoic acid methyl ester
    • Benzoic acid, 2,6-dihydroxy-, methyl ester
    • MFCD00059619
    • .gamma.-Resorcylic acid, methyl ester
    • CHEMBL2333586
    • DTXSID40334174
    • Methyl2,6-dihydroxybenzoate
    • LL97SP38ZD
    • SCHEMBL1519936
    • methyl (2,6-dihydroxy)benzoate
    • DTXCID50285264
    • CHEBI:192874
    • gamma-Resorcylic Acid Methyl Ester
    • BDBM50428397
    • Methyl 2,6-dihydroxybenzoate, 97%
    • METHYL-2,6-DIHYDROXYBENZOATE
    • AKOS015890821
    • CS-W001154
    • FM71118
    • HY-W001154
    • 2,6-Dihydroxybenzoic acid, methyl ester
    • Benzoic acid,2,6-dihydroxy-,methyl ester
    • SY017982
    • TS-02272
    • DB-066540
    • D1461
    • EN300-215517
    • InChI=1/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H
    • 624-891-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 258.94
    methanol 412.41
    isopropanol 179.36
    water 2.89
    ethyl acetate 123.44
    n-propanol 167.92
    acetone 322.43
    n-butanol 167.95
    acetonitrile 170.03
    DMF 1568.2
    toluene 10.99
    isobutanol 107.83
    1,4-dioxane 193.33
    methyl acetate 127.6
    THF 733.49
    2-butanone 165.65
    n-pentanol 131.58
    sec-butanol 107.59
    n-hexane 4.05
    ethylene glycol 252.88
    NMP 457.14
    cyclohexane 2.62
    DMSO 1809.83
    n-butyl acetate 59.45
    n-octanol 53.21
    chloroform 74.61
    n-propyl acetate 78.58
    acetic acid 123.78
    dichloromethane 110.24
    cyclohexanone 170.32
    propylene glycol 196.65
    isopropyl acetate 77.6
    DMAc 527.29
    2-ethoxyethanol 283.69
    isopentanol 119.12
    n-heptane 4.5
    ethyl formate 191.0
    1,2-dichloroethane 106.84
    n-hexanol 115.19
    2-methoxyethanol 692.09
    isobutyl acetate 41.79
    tetrachloromethane 13.06
    n-pentyl acetate 41.18
    transcutol 122.86
    n-heptanol 53.27
    ethylbenzene 14.84
    MIBK 112.74
    2-propoxyethanol 287.64
    tert-butanol 183.99
    MTBE 56.95
    2-butoxyethanol 115.18
    propionic acid 108.72
    o-xylene 13.4
    formic acid 165.36
    diethyl ether 64.41
    m-xylene 18.41
    p-xylene 16.74
    chlorobenzene 27.4
    dimethyl carbonate 138.6
    n-octane 2.53
    formamide 335.87
    cyclopentanone 356.28
    2-pentanone 186.64
    anisole 65.21
    cyclopentyl methyl ether 148.72
    gamma-butyrolactone 398.02
    1-methoxy-2-propanol 509.49
    pyridine 74.8
    3-pentanone 89.08
    furfural 306.33
    n-dodecane 3.2
    diethylene glycol 368.74
    diisopropyl ether 19.18
    tert-amyl alcohol 104.76
    acetylacetone 237.46
    n-hexadecane 3.57
    acetophenone 72.79
    methyl propionate 165.47
    isopentyl acetate 44.33
    trichloroethylene 133.61
    n-nonanol 46.21
    cyclohexanol 88.26
    benzyl alcohol 86.26
    2-ethylhexanol 48.74
    isooctanol 40.6
    dipropyl ether 40.11
    1,2-dichlorobenzene 31.81
    ethyl lactate 107.98
    propylene carbonate 185.73
    n-methylformamide 646.36
    2-pentanol 91.68
    n-pentane 3.59
    1-propoxy-2-propanol 155.04
    1-methoxy-2-propyl acetate 99.94
    2-(2-methoxypropoxy) propanol 80.31
    mesitylene 14.29
    ε-caprolactone 145.93
    p-cymene 14.93
    epichlorohydrin 435.18
    1,1,1-trichloroethane 49.19
    2-aminoethanol 246.04
    morpholine-4-carbaldehyde 369.54
    sulfolane 678.91
    2,2,4-trimethylpentane 3.0
    2-methyltetrahydrofuran 187.78
    n-hexyl acetate 59.33
    isooctane 3.83
    2-(2-butoxyethoxy)ethanol 107.73
    sec-butyl acetate 42.55
    tert-butyl acetate 85.91
    decalin 4.07
    glycerin 330.18
    diglyme 176.66
    acrylic acid 114.11
    isopropyl myristate 27.13
    n-butyric acid 155.13
    acetyl acetate 68.81
    di(2-ethylhexyl) phthalate 31.26
    ethyl propionate 85.27
    nitromethane 427.52
    1,2-diethoxyethane 43.35
    benzonitrile 72.62
    trioctyl phosphate 32.14
    1-bromopropane 41.55
    gamma-valerolactone 400.71
    n-decanol 37.43
    triethyl phosphate 35.32
    4-methyl-2-pentanol 64.5
    propionitrile 136.85
    vinylene carbonate 152.67
    1,1,2-trichlorotrifluoroethane 284.11
    DMS 54.84
    cumene 15.57
    2-octanol 38.16
    2-hexanone 98.77
    octyl acetate 36.86
    limonene 21.03
    1,2-dimethoxyethane 364.98
    ethyl orthosilicate 29.02
    tributyl phosphate 31.16
    diacetone alcohol 195.95
    N,N-dimethylaniline 55.66
    acrylonitrile 209.1
    aniline 44.89
    1,3-propanediol 335.54
    bromobenzene 20.37
    dibromomethane 59.28
    1,1,2,2-tetrachloroethane 116.54
    2-methyl-cyclohexyl acetate 41.33
    tetrabutyl urea 53.39
    diisobutyl methanol 33.2
    2-phenylethanol 78.93
    styrene 15.39
    dioctyl adipate 39.5
    dimethyl sulfate 258.47
    ethyl butyrate 52.44
    methyl lactate 215.74
    butyl lactate 52.45
    diethyl carbonate 35.97
    propanediol butyl ether 101.97
    triethyl orthoformate 33.77
    p-tert-butyltoluene 15.39
    methyl 4-tert-butylbenzoate 70.28
    morpholine 266.18
    tert-butylamine 70.7
    n-dodecanol 29.06
    dimethoxymethane 619.06
    ethylene carbonate 120.73
    cyrene 141.34
    2-ethoxyethyl acetate 50.16
    2-ethylhexyl acetate 30.73
    1,2,4-trichlorobenzene 35.57
    4-methylpyridine 87.15
    dibutyl ether 27.58
    2,6-dimethyl-4-heptanol 33.2
    DEF 242.69
    dimethyl isosorbide 144.14
    tetrachloroethylene 63.37
    eugenol 80.97
    triacetin 48.23
    span 80 71.58
    1,4-butanediol 162.3
    1,1-dichloroethane 65.16
    2-methyl-1-pentanol 78.05
    methyl formate 514.03
    2-methyl-1-butanol 92.11
    n-decane 4.36
    butyronitrile 162.31
    3,7-dimethyl-1-octanol 42.37
    1-chlorooctane 20.3
    1-chlorotetradecane 9.78
    n-nonane 3.89
    undecane 3.7
    tert-butylcyclohexane 4.64
    cyclooctane 1.79
    cyclopentanol 154.78
    tetrahydropyran 107.77
    tert-amyl methyl ether 50.3
    2,5,8-trioxanonane 136.28
    1-hexene 17.59
    2-isopropoxyethanol 150.47
    2,2,2-trifluoroethanol 85.69
    methyl butyrate 129.03

    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
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 1.02%