Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl ester

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  • Identifiers

    CAS number
    6110-36-7

    Molecular formula
    C11H14O4

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

  • Odor profile

    Fragrance
    Floral 64.85%
    Sweet 53.2%
    Fruity 48.4%
    Woody 46.09%
    Phenolic 41.35%
    Spicy 40.27%
    Powdery 33.71%
    Balsamic 31.46%
    Herbal 30.84%
    Green 29.15%

     

    Flavor
    Bitter 53.81%
    Odorless 24.75%
    Mild 23.08%
    Bland 22.8%
    Parsley 22.73%
    Ethyl benzoate 22.03%
    Aniseed 21.38%
    Heather 21.0%
    Ripe apricot 20.97%
    Red fruit 20.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.13 (weak base)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point

    • 133.17 ˚C est.

  • Synonyms

    • 6110-36-7
    • ETHYL EVERNINATE
    • Ethyl 2-hydroxy-4-methoxy-6-methylbenzoate
    • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl ester
    • EINECS 228-073-6
    • DTXSID1064116
    • Ethyl 4-methoxy-6-methylsalicylate
    • 2-Hydroxy-4-methoxy-6-methyl-benzoic acid ethyl ester
    • KBio3_001212
    • Spectrum2_000684
    • Spectrum3_000266
    • Spectrum4_000952
    • Spectrum5_001834
    • BSPBio_001712
    • KBioGR_001564
    • SPECTRUM211009
    • SPBio_000807
    • 2-Hydroxy-4-methoxy-6-methylbenzoic acid ethyl ester
    • SCHEMBL1640418
    • CHEMBL1318588
    • DTXCID9042968
    • CHEBI:108584
    • CCG-38574
    • AKOS005167061
    • SDCCGMLS-0066552.P001
    • NCGC00095529-01
    • NCGC00095529-02
    • DA-63307
    • NS00034569
    • SR-05000002453
    • SR-05000002453-1
    • Q27187507

  • Applications

    Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl ester (CAS 6110-36-7) is primarily used as a fragrance ingredient and fragrance fixative in perfumery and cosmetic formulations, helping to impart distinctive aroma and longer-lasting notes. It may be evaluated for applications in fragrance and flavor sectors to contribute aroma, and it can also serve as a synthetic intermediate in organic synthesis for specialty chemicals, pharmaceuticals, or agrochemicals. In household products such as cleaners and air fresheners, it adds fragrance branding. As a chemical building block, it may be used in research and development of formulations for coatings, inks, or polymer-related applications where benzoate esters are relevant.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 216.67
    methanol 268.12
    isopropanol 162.77
    water 0.29
    ethyl acetate 281.54
    n-propanol 163.95
    acetone 552.87
    n-butanol 165.51
    acetonitrile 324.47
    DMF 1360.98
    toluene 45.91
    isobutanol 113.76
    1,4-dioxane 416.83
    methyl acetate 304.98
    THF 825.71
    2-butanone 274.91
    n-pentanol 123.43
    sec-butanol 127.95
    n-hexane 8.88
    ethylene glycol 124.72
    NMP 807.39
    cyclohexane 12.2
    DMSO 1489.71
    n-butyl acetate 135.35
    n-octanol 57.43
    chloroform 418.14
    n-propyl acetate 160.43
    acetic acid 353.01
    dichloromethane 494.75
    cyclohexanone 420.64
    propylene glycol 154.81
    isopropyl acetate 147.77
    DMAc 582.56
    2-ethoxyethanol 255.45
    isopentanol 130.02
    n-heptane 6.49
    ethyl formate 229.38
    1,2-dichloroethane 391.75
    n-hexanol 117.63
    2-methoxyethanol 614.21
    isobutyl acetate 86.77
    tetrachloromethane 47.98
    n-pentyl acetate 85.47
    transcutol 319.71
    n-heptanol 50.62
    ethylbenzene 38.4
    MIBK 160.33
    2-propoxyethanol 265.16
    tert-butanol 212.7
    MTBE 113.41
    2-butoxyethanol 111.86
    propionic acid 228.69
    o-xylene 39.0
    formic acid 150.66
    diethyl ether 144.95
    m-xylene 48.88
    p-xylene 50.71
    chlorobenzene 131.78
    dimethyl carbonate 227.11
    n-octane 3.37
    formamide 296.07
    cyclopentanone 631.47
    2-pentanone 282.55
    anisole 123.98
    cyclopentyl methyl ether 278.26
    gamma-butyrolactone 839.7
    1-methoxy-2-propanol 462.92
    pyridine 215.12
    3-pentanone 177.66
    furfural 536.04
    n-dodecane 3.97
    diethylene glycol 302.39
    diisopropyl ether 40.64
    tert-amyl alcohol 148.49
    acetylacetone 395.83
    n-hexadecane 4.75
    acetophenone 143.54
    methyl propionate 311.54
    isopentyl acetate 107.4
    trichloroethylene 658.29
    n-nonanol 51.25
    cyclohexanol 167.87
    benzyl alcohol 130.27
    2-ethylhexanol 67.23
    isooctanol 42.91
    dipropyl ether 65.3
    1,2-dichlorobenzene 127.21
    ethyl lactate 121.72
    propylene carbonate 384.86
    n-methylformamide 533.77
    2-pentanol 112.76
    n-pentane 7.12
    1-propoxy-2-propanol 168.33
    1-methoxy-2-propyl acetate 192.04
    2-(2-methoxypropoxy) propanol 126.44
    mesitylene 34.37
    ε-caprolactone 342.21
    p-cymene 32.14
    epichlorohydrin 771.61
    1,1,1-trichloroethane 273.79
    2-aminoethanol 179.47
    morpholine-4-carbaldehyde 577.74
    sulfolane 1125.5
    2,2,4-trimethylpentane 6.13
    2-methyltetrahydrofuran 371.5
    n-hexyl acetate 135.98
    isooctane 5.56
    2-(2-butoxyethoxy)ethanol 162.04
    sec-butyl acetate 88.09
    tert-butyl acetate 169.04
    decalin 10.77
    glycerin 269.17
    diglyme 303.08
    acrylic acid 234.96
    isopropyl myristate 51.48
    n-butyric acid 256.86
    acetyl acetate 192.8
    di(2-ethylhexyl) phthalate 59.37
    ethyl propionate 163.22
    nitromethane 875.34
    1,2-diethoxyethane 100.06
    benzonitrile 154.13
    trioctyl phosphate 49.85
    1-bromopropane 133.19
    gamma-valerolactone 685.79
    n-decanol 40.15
    triethyl phosphate 70.07
    4-methyl-2-pentanol 65.56
    propionitrile 190.73
    vinylene carbonate 333.34
    1,1,2-trichlorotrifluoroethane 487.35
    DMS 160.83
    cumene 32.33
    2-octanol 40.31
    2-hexanone 169.01
    octyl acetate 71.58
    limonene 49.23
    1,2-dimethoxyethane 420.54
    ethyl orthosilicate 58.22
    tributyl phosphate 60.11
    diacetone alcohol 273.69
    N,N-dimethylaniline 87.91
    acrylonitrile 301.18
    aniline 115.95
    1,3-propanediol 274.88
    bromobenzene 120.68
    dibromomethane 285.05
    1,1,2,2-tetrachloroethane 500.38
    2-methyl-cyclohexyl acetate 98.78
    tetrabutyl urea 81.5
    diisobutyl methanol 41.08
    2-phenylethanol 114.02
    styrene 45.57
    dioctyl adipate 83.57
    dimethyl sulfate 437.74
    ethyl butyrate 102.83
    methyl lactate 246.34
    butyl lactate 88.46
    diethyl carbonate 83.11
    propanediol butyl ether 132.13
    triethyl orthoformate 71.52
    p-tert-butyltoluene 32.4
    methyl 4-tert-butylbenzoate 118.18
    morpholine 483.23
    tert-butylamine 91.15
    n-dodecanol 30.89
    dimethoxymethane 587.33
    ethylene carbonate 273.72
    cyrene 192.28
    2-ethoxyethyl acetate 123.01
    2-ethylhexyl acetate 82.45
    1,2,4-trichlorobenzene 159.88
    4-methylpyridine 218.64
    dibutyl ether 57.59
    2,6-dimethyl-4-heptanol 41.08
    DEF 330.53
    dimethyl isosorbide 239.26
    tetrachloroethylene 253.01
    eugenol 121.36
    triacetin 131.36
    span 80 108.78
    1,4-butanediol 105.27
    1,1-dichloroethane 298.22
    2-methyl-1-pentanol 96.37
    methyl formate 497.03
    2-methyl-1-butanol 113.82
    n-decane 6.5
    butyronitrile 203.27
    3,7-dimethyl-1-octanol 57.95
    1-chlorooctane 36.96
    1-chlorotetradecane 15.4
    n-nonane 5.93
    undecane 5.03
    tert-butylcyclohexane 10.01
    cyclooctane 4.46
    cyclopentanol 225.51
    tetrahydropyran 300.69
    tert-amyl methyl ether 95.13
    2,5,8-trioxanonane 212.35
    1-hexene 39.48
    2-isopropoxyethanol 153.69
    2,2,2-trifluoroethanol 157.96
    methyl butyrate 216.05

    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