Ethyl orsellinate

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  • Identifiers

    CAS number
    2524-37-0

    Molecular formula
    C10H12O4

    SMILES
    CCOC(=O)C1=C(C=C(C=C1C)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 53.64%
    Woody 41.21%
    Odorless 37.14%
    Floral 34.78%
    Fruity 34.03%
    Sweet 33.61%
    Spicy 31.87%
    Animal 28.55%
    Dry 28.12%
    Balsamic 27.47%

     

    Flavor
    Bitter 61.09%
    Odorless 30.59%
    Mild 27.14%
    Bland 23.94%
    Parsley 22.15%
    Ethyl benzoate 22.0%
    Eugenol 21.25%
    Red fruit 20.94%
    Ripe apricot 20.91%
    Lovage 20.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.94 (weak base)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 166.0 ˚C est.

  • Synonyms

    • Ethyl 2,4-dihydroxy-6-methylbenzoate
    • 2524-37-0
    • Ethyl orsellinate
    • Orsellinic acid, ethyl ester
    • Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester
    • 2,4-Dihydroxy-6-methylbenzoic Acid Ethyl Ester
    • o-Orsellinic acid, ethyl ester
    • UNII-3035H4GP23
    • .beta.-Resorcylic acid, 6-methyl-, ethyl ester
    • 3035H4GP23
    • NSC 149781
    • NSC-149781
    • DTXSID4062488
    • beta-Resorcylic acid, 6-methyl-, ethyl ester
    • RefChem:139029
    • DTXCID4037245
    • Ethyl 2,4-dihydroxy-6-methylbenzoic acid
    • beta-Resorcylic acid, 6-methyl-, ethyl ester (8CI)
    • 623-214-1
    • InChI=1/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H
    • UQSRXQMIXSZGLA-UHFFFAOYSA-N
    • MFCD00010821
    • ethyl 2,4-dihydroxy-6-methyl-benzoate
    • Spectrum_000785
    • SpecPlus_000248
    • Spectrum2_000390
    • Spectrum3_000694
    • Spectrum4_001427
    • Spectrum5_000254
    • orsellinic acid ethyl ester
    • BSPBio_002447
    • KBioGR_001874
    • KBioSS_001265
    • SPECTRUM200002
    • MLS002695995
    • DivK1c_006344
    • SPBio_000579
    • orb1305021
    • SCHEMBL1648471
    • 4-Carbethoxy-5-methylresorcinol
    • CHEMBL1601166
    • KBio1_001288
    • KBio2_001265
    • KBio2_003833
    • KBio2_006401
    • KBio3_001667
    • CHEBI:113535
    • 2-Carbethoxy-3,5-dihydroxytoluene
    • 4-Ethoxycarbonyl-5-methylresorcinol
    • .beta.-Resorcylic acid, ethyl ester
    • CCG-38661
    • NSC149781
    • s5128
    • 2-Ethoxycarbonyl-3,5-dihydroxytoluene
    • AKOS015889573
    • CS-W000427
    • EBC-616390
    • HY-W000427
    • SDCCGMLS-0066439.P001
    • NCGC00095458-01
    • NCGC00095458-02
    • FE155424
    • SMR001562139
    • TS-02774
    • Ethyl 2,4-dihydroxy-6-methylbenzoate, 98%
    • 2,4-Dihydroxy-6-methyl-benzoic acid ethyl ester
    • Benzoic acid,4-dihydroxy-6-methyl-, ethyl ester
    • F066787
    • SR-05000002432
    • SR-05000002432-1
    • BRD-K97487499-001-02-2
    • Q27194425
    • 2524-37-0

  • Applications

    Ethyl orsellinate is primarily used as an organic synthesis intermediate, serving as a building block for the preparation of polyketide-like natural product derivatives. It is often evaluated in fragrance and flavor research as a potential odorant or aroma compound. In pharmaceutical development and in agrochemical research, it can be employed as a synthetic intermediate in route development and library generation. In cosmetics and personal care, it may function as a fragrance ingredient precursor or formulation component under restricted usage. In materials science, coatings and inks, it can serve as a functionalized ester building block for polymer research and related applications. All use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 475.23
    methanol 678.19
    isopropanol 354.58
    water 1.46
    ethyl acetate 286.25
    n-propanol 311.53
    acetone 652.04
    n-butanol 285.19
    acetonitrile 371.09
    DMF 1786.33
    toluene 16.45
    isobutanol 185.16
    1,4-dioxane 495.14
    methyl acetate 291.33
    THF 1288.7
    2-butanone 245.31
    n-pentanol 209.1
    sec-butanol 198.31
    n-hexane 5.15
    ethylene glycol 277.56
    NMP 755.35
    cyclohexane 3.26
    DMSO 1995.62
    n-butyl acetate 129.26
    n-octanol 86.48
    chloroform 112.81
    n-propyl acetate 168.48
    acetic acid 575.53
    dichloromethane 145.83
    cyclohexanone 325.96
    propylene glycol 390.94
    isopropyl acetate 161.62
    DMAc 536.65
    2-ethoxyethanol 407.32
    isopentanol 197.26
    n-heptane 4.67
    ethyl formate 302.71
    1,2-dichloroethane 141.45
    n-hexanol 173.48
    2-methoxyethanol 1092.98
    isobutyl acetate 88.37
    tetrachloromethane 12.8
    n-pentyl acetate 84.55
    transcutol 437.79
    n-heptanol 69.94
    ethylbenzene 15.75
    MIBK 176.92
    2-propoxyethanol 434.45
    tert-butanol 373.31
    MTBE 115.23
    2-butoxyethanol 157.05
    propionic acid 305.73
    o-xylene 14.95
    formic acid 322.02
    diethyl ether 137.55
    m-xylene 24.05
    p-xylene 19.9
    chlorobenzene 48.7
    dimethyl carbonate 237.79
    n-octane 2.66
    formamide 545.69
    cyclopentanone 623.05
    2-pentanone 312.84
    anisole 88.23
    cyclopentyl methyl ether 258.48
    gamma-butyrolactone 923.46
    1-methoxy-2-propanol 947.77
    pyridine 120.95
    3-pentanone 128.36
    furfural 519.98
    n-dodecane 3.82
    diethylene glycol 503.22
    diisopropyl ether 36.74
    tert-amyl alcohol 190.76
    acetylacetone 434.4
    n-hexadecane 4.39
    acetophenone 101.22
    methyl propionate 297.76
    isopentyl acetate 94.54
    trichloroethylene 212.81
    n-nonanol 75.74
    cyclohexanol 166.39
    benzyl alcohol 118.68
    2-ethylhexanol 73.4
    isooctanol 55.99
    dipropyl ether 66.23
    1,2-dichlorobenzene 49.41
    ethyl lactate 168.23
    propylene carbonate 430.91
    n-methylformamide 816.06
    2-pentanol 183.17
    n-pentane 4.56
    1-propoxy-2-propanol 267.66
    1-methoxy-2-propyl acetate 202.93
    2-(2-methoxypropoxy) propanol 158.66
    mesitylene 18.01
    ε-caprolactone 319.97
    p-cymene 18.79
    epichlorohydrin 738.12
    1,1,1-trichloroethane 85.31
    2-aminoethanol 402.78
    morpholine-4-carbaldehyde 668.95
    sulfolane 1210.89
    2,2,4-trimethylpentane 4.0
    2-methyltetrahydrofuran 384.85
    n-hexyl acetate 140.32
    isooctane 4.76
    2-(2-butoxyethoxy)ethanol 236.42
    sec-butyl acetate 87.01
    tert-butyl acetate 190.25
    decalin 4.96
    glycerin 580.92
    diglyme 350.96
    acrylic acid 305.58
    isopropyl myristate 55.63
    n-butyric acid 384.96
    acetyl acetate 178.78
    di(2-ethylhexyl) phthalate 58.45
    ethyl propionate 161.52
    nitromethane 1123.64
    1,2-diethoxyethane 109.39
    benzonitrile 111.98
    trioctyl phosphate 58.27
    1-bromopropane 55.76
    gamma-valerolactone 780.74
    n-decanol 59.63
    triethyl phosphate 57.8
    4-methyl-2-pentanol 101.47
    propionitrile 192.65
    vinylene carbonate 345.79
    1,1,2-trichlorotrifluoroethane 416.81
    DMS 129.39
    cumene 15.87
    2-octanol 56.72
    2-hexanone 169.96
    octyl acetate 78.23
    limonene 28.55
    1,2-dimethoxyethane 553.3
    ethyl orthosilicate 49.43
    tributyl phosphate 64.08
    diacetone alcohol 384.45
    N,N-dimethylaniline 61.69
    acrylonitrile 292.5
    aniline 73.13
    1,3-propanediol 552.95
    bromobenzene 33.52
    dibromomethane 74.96
    1,1,2,2-tetrachloroethane 169.69
    2-methyl-cyclohexyl acetate 78.69
    tetrabutyl urea 86.24
    diisobutyl methanol 49.69
    2-phenylethanol 110.84
    styrene 17.32
    dioctyl adipate 85.17
    dimethyl sulfate 407.46
    ethyl butyrate 96.17
    methyl lactate 347.18
    butyl lactate 104.46
    diethyl carbonate 67.78
    propanediol butyl ether 206.61
    triethyl orthoformate 66.46
    p-tert-butyltoluene 21.51
    methyl 4-tert-butylbenzoate 114.44
    morpholine 612.37
    tert-butylamine 131.48
    n-dodecanol 44.87
    dimethoxymethane 861.5
    ethylene carbonate 279.0
    cyrene 211.26
    2-ethoxyethyl acetate 119.51
    2-ethylhexyl acetate 63.83
    1,2,4-trichlorobenzene 66.92
    4-methylpyridine 138.74
    dibutyl ether 59.53
    2,6-dimethyl-4-heptanol 49.69
    DEF 326.05
    dimethyl isosorbide 282.42
    tetrachloroethylene 76.58
    eugenol 124.4
    triacetin 123.48
    span 80 150.21
    1,4-butanediol 208.96
    1,1-dichloroethane 116.38
    2-methyl-1-pentanol 131.87
    methyl formate 755.34
    2-methyl-1-butanol 158.06
    n-decane 5.67
    butyronitrile 237.5
    3,7-dimethyl-1-octanol 74.36
    1-chlorooctane 33.24
    1-chlorotetradecane 14.35
    n-nonane 4.97
    undecane 4.62
    tert-butylcyclohexane 5.82
    cyclooctane 1.76
    cyclopentanol 305.87
    tetrahydropyran 260.5
    tert-amyl methyl ether 90.5
    2,5,8-trioxanonane 262.93
    1-hexene 28.47
    2-isopropoxyethanol 227.14
    2,2,2-trifluoroethanol 202.18
    methyl butyrate 215.71

    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