Methyl 2,6-dihydroxy-4-methylbenzoate

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  • Identifiers

    CAS number
    16846-10-9

    Molecular formula
    C9H10O4

    SMILES
    CC1=CC(=C(C(=C1)O)C(=O)OC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 57.56%
    Woody 42.21%
    Odorless 40.99%
    Sweet 30.08%
    Fruity 29.28%
    Spicy 28.4%
    Dry 28.03%
    Animal 26.74%
    Medicinal 26.74%
    Smoky 24.33%

     

    Flavor
    Bitter 56.39%
    Odorless 32.11%
    Phenolic 28.17%
    Mild 25.96%
    Bland 24.27%
    Parsley 21.91%
    Eugenol 21.63%
    Ethyl benzoate 21.19%
    Flat 21.05%
    Cedarleaf 21.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.37 (weak base)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point

    • 141.4 ˚C est.

  • Synonyms

    • Methyl 2,6-dihydroxy-4-methylbenzoate
    • 16846-10-9
    • Methyl 2,6-dihydroxy-p-toluate
    • DTXSID10168569
    • RefChem:812978
    • DTXCID5091060
    • 240-870-0
    • Methyl 2,6-dihydroxy-4-methylbenzenecarboxylate
    • Benzoic acid, 2,6-dihydroxy-4-methyl-, methyl ester
    • MFCD00012063
    • methyl 2,6-dihydroxy-4-methyl-benzoate
    • EINECS 240-870-0
    • methyl orcinol carboxylate
    • 2,6-Dihydroxy-4-methylbenzoic acid methyl ester
    • CHEMBL469646
    • SCHEMBL1636307
    • p-Orsellinic acid, methyl ester
    • NSC37990
    • NSC 37990
    • NSC-37990
    • SBB089879
    • Methyl2,6-dihydroxy-4-methylbenzoate
    • AKOS005070190
    • FM70896
    • Methyl 4-methyl-2,6-dihydroxybenzoate
    • DB-043740
    • CS-0333904
    • NS00025528
    • Methyl 2,6-dihydroxy-4-methylbenzoate, 98%
    • 3P-063
    • RESORCYLIC ACID, 4-METHYL-,METHYL ESTER
    • Resorcylic acid,.gamma., 4-methyl-,methyl ester
    • InChI=1/C9H10O4/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4,10-11H,1-2H
    • 16846-10-9

  • Applications

    Applications for Methyl 2,6-dihydroxy-4-methylbenzoate (CAS 16846-10-9) include use as an aromatic building block in fragrance synthesis and as a fragrance intermediate in perfumery; in cosmetics and personal care, it may be used as a fragrance component or formulation intermediate; in coatings and inks, it can serve as an aromatic intermediate for resin and pigment chemistries; in polymers and plastics workflows, it may act as a building block for specialty polyesters or phenolic resin systems; and in general industrial manufacturing, it is handled as an organic synthesis intermediate and precursor to more complex molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 194.74
    methanol 243.44
    isopropanol 182.16
    water 1.12
    ethyl acetate 182.04
    n-propanol 151.81
    acetone 378.5
    n-butanol 168.06
    acetonitrile 172.62
    DMF 857.82
    toluene 15.12
    isobutanol 108.87
    1,4-dioxane 293.51
    methyl acetate 191.63
    THF 1344.28
    2-butanone 197.0
    n-pentanol 112.94
    sec-butanol 130.84
    n-hexane 3.17
    ethylene glycol 131.02
    NMP 465.72
    cyclohexane 2.17
    DMSO 1065.35
    n-butyl acetate 70.16
    n-octanol 46.86
    chloroform 78.64
    n-propyl acetate 86.01
    acetic acid 248.46
    dichloromethane 69.53
    cyclohexanone 208.06
    propylene glycol 160.47
    isopropyl acetate 108.1
    DMAc 345.0
    2-ethoxyethanol 225.03
    isopentanol 137.81
    n-heptane 2.99
    ethyl formate 162.97
    1,2-dichloroethane 82.14
    n-hexanol 118.95
    2-methoxyethanol 643.71
    isobutyl acetate 52.11
    tetrachloromethane 12.14
    n-pentyl acetate 43.24
    transcutol 166.06
    n-heptanol 48.5
    ethylbenzene 11.47
    MIBK 130.02
    2-propoxyethanol 282.09
    tert-butanol 239.57
    MTBE 92.03
    2-butoxyethanol 108.72
    propionic acid 149.55
    o-xylene 12.07
    formic acid 168.79
    diethyl ether 102.05
    m-xylene 19.33
    p-xylene 13.19
    chlorobenzene 27.87
    dimethyl carbonate 153.24
    n-octane 1.53
    formamide 252.55
    cyclopentanone 492.01
    2-pentanone 223.71
    anisole 57.56
    cyclopentyl methyl ether 228.65
    gamma-butyrolactone 591.04
    1-methoxy-2-propanol 522.5
    pyridine 87.71
    3-pentanone 98.52
    furfural 305.17
    n-dodecane 2.01
    diethylene glycol 316.13
    diisopropyl ether 27.37
    tert-amyl alcohol 139.9
    acetylacetone 284.21
    n-hexadecane 2.27
    acetophenone 59.05
    methyl propionate 185.35
    isopentyl acetate 60.37
    trichloroethylene 142.05
    n-nonanol 40.74
    cyclohexanol 110.08
    benzyl alcohol 62.95
    2-ethylhexanol 47.04
    isooctanol 36.61
    dipropyl ether 41.35
    1,2-dichlorobenzene 30.57
    ethyl lactate 81.44
    propylene carbonate 246.5
    n-methylformamide 394.68
    2-pentanol 124.51
    n-pentane 3.12
    1-propoxy-2-propanol 151.92
    1-methoxy-2-propyl acetate 115.35
    2-(2-methoxypropoxy) propanol 87.06
    mesitylene 13.13
    ε-caprolactone 186.2
    p-cymene 11.88
    epichlorohydrin 526.27
    1,1,1-trichloroethane 68.85
    2-aminoethanol 172.92
    morpholine-4-carbaldehyde 331.64
    sulfolane 705.04
    2,2,4-trimethylpentane 3.44
    2-methyltetrahydrofuran 362.86
    n-hexyl acetate 71.05
    isooctane 3.88
    2-(2-butoxyethoxy)ethanol 120.19
    sec-butyl acetate 55.86
    tert-butyl acetate 135.59
    decalin 3.19
    glycerin 299.11
    diglyme 186.48
    acrylic acid 155.94
    isopropyl myristate 27.84
    n-butyric acid 213.96
    acetyl acetate 107.48
    di(2-ethylhexyl) phthalate 30.73
    ethyl propionate 94.35
    nitromethane 587.75
    1,2-diethoxyethane 49.6
    benzonitrile 56.43
    trioctyl phosphate 31.01
    1-bromopropane 38.57
    gamma-valerolactone 486.1
    n-decanol 30.49
    triethyl phosphate 34.56
    4-methyl-2-pentanol 79.2
    propionitrile 119.99
    vinylene carbonate 169.87
    1,1,2-trichlorotrifluoroethane 286.97
    DMS 66.16
    cumene 10.67
    2-octanol 35.53
    2-hexanone 102.84
    octyl acetate 38.43
    limonene 18.02
    1,2-dimethoxyethane 317.53
    ethyl orthosilicate 29.83
    tributyl phosphate 31.41
    diacetone alcohol 248.56
    N,N-dimethylaniline 39.16
    acrylonitrile 158.26
    aniline 52.74
    1,3-propanediol 301.06
    bromobenzene 19.61
    dibromomethane 40.1
    1,1,2,2-tetrachloroethane 120.18
    2-methyl-cyclohexyl acetate 43.62
    tetrabutyl urea 42.86
    diisobutyl methanol 32.73
    2-phenylethanol 64.7
    styrene 11.16
    dioctyl adipate 38.84
    dimethyl sulfate 286.82
    ethyl butyrate 51.02
    methyl lactate 188.34
    butyl lactate 49.45
    diethyl carbonate 35.37
    propanediol butyl ether 103.46
    triethyl orthoformate 37.39
    p-tert-butyltoluene 13.85
    methyl 4-tert-butylbenzoate 67.97
    morpholine 400.72
    tert-butylamine 88.19
    n-dodecanol 22.2
    dimethoxymethane 547.36
    ethylene carbonate 143.54
    cyrene 130.89
    2-ethoxyethyl acetate 58.43
    2-ethylhexyl acetate 41.38
    1,2,4-trichlorobenzene 40.0
    4-methylpyridine 98.78
    dibutyl ether 26.5
    2,6-dimethyl-4-heptanol 32.73
    DEF 195.69
    dimethyl isosorbide 157.5
    tetrachloroethylene 60.98
    eugenol 72.01
    triacetin 55.76
    span 80 74.59
    1,4-butanediol 97.82
    1,1-dichloroethane 77.76
    2-methyl-1-pentanol 83.93
    methyl formate 364.4
    2-methyl-1-butanol 105.9
    n-decane 3.08
    butyronitrile 143.96
    3,7-dimethyl-1-octanol 40.35
    1-chlorooctane 17.04
    1-chlorotetradecane 7.18
    n-nonane 2.76
    undecane 2.48
    tert-butylcyclohexane 4.02
    cyclooctane 1.41
    cyclopentanol 213.68
    tetrahydropyran 194.69
    tert-amyl methyl ether 77.35
    2,5,8-trioxanonane 132.96
    1-hexene 17.22
    2-isopropoxyethanol 135.51
    2,2,2-trifluoroethanol 118.39
    methyl butyrate 120.35

    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