Benzoic acid, 2-hydroxy-, 2-methoxyphenyl ester

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  • Identifiers

    CAS number
    87-16-1

    Molecular formula
    C14H12O4

    SMILES
    COC1=CC=CC=C1OC(=O)C2=CC=CC=C2O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 83.42%
    Balsamic 64.58%
    Phenolic 61.76%
    Spicy 54.09%
    Floral 50.76%
    Vanilla 50.14%
    Woody 49.1%
    Herbal 44.85%
    Aromatic 41.06%
    Powdery 40.85%

     

    Flavor
    Bitter 48.39%
    Sweet 46.84%
    Herbal 39.0%
    Balsam 36.02%
    Phenolic 35.28%
    Powdery 32.36%
    Woody 31.27%
    Wintergreen 30.13%
    Faint 29.04%
    Balsamic 28.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.77 (weak base)

    Molecular weight
    244.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 158.51 ˚C est.

  • Synonyms

    • Guaiacol salicylate
    • 87-16-1
    • NSC-142127
    • E83E4EXQ4C
    • DTXSID10236035
    • Benzoic acid, 2-hydroxy-, 2-methoxyphenyl ester
    • RefChem:916926
    • DTXCID10158526
    • 201-726-2
    • (2-methoxyphenyl) 2-hydroxybenzoate
    • 2-Methoxyphenyl salicylate
    • 2-METHOXYPHENYL 2-HYDROXYBENZOATE
    • Salicylic acid, o-methoxyphenyl ester
    • Guaiacol salol
    • 'Guaiacol salol'
    • EINECS 201-726-2
    • Benzoic acid,2-hydroxy-, 2-methoxyphenyl ester
    • SCHEMBL7039888
    • (2-methoxyphenyl) 2-hydroxybenzoat
    • Benzoic acid, 2-methoxyphenyl ester
    • NSC142127
    • NSC 142127
    • NS00039172
    • 87-16-1

  • Applications

    Benzoic acid, 2-hydroxy-, 2-methoxyphenyl ester (CAS 87-16-1) is primarily used as a specialty intermediate and fragrance-related component. In perfumery and cosmetics, it can act as an aroma ingredient or scent fixative; in household products, it serves as a fragrance constituent for cleaners and air fresheners; in industrial manufacturing, it is an intermediate for the synthesis of related aroma/flavor and pharmaceutical chemicals; and in coatings and inks where fragrance performance is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.1
    methanol 41.8
    isopropanol 26.98
    water 0.01
    ethyl acetate 257.51
    n-propanol 41.22
    acetone 276.16
    n-butanol 37.78
    acetonitrile 162.31
    DMF 394.4
    toluene 96.21
    isobutanol 25.79
    1,4-dioxane 300.93
    methyl acetate 273.88
    THF 700.73
    2-butanone 276.44
    n-pentanol 26.01
    sec-butanol 44.59
    n-hexane 2.63
    ethylene glycol 12.24
    NMP 306.15
    cyclohexane 8.91
    DMSO 696.39
    n-butyl acetate 111.84
    n-octanol 13.95
    chloroform 434.22
    n-propyl acetate 107.52
    acetic acid 124.12
    dichloromethane 472.34
    cyclohexanone 284.15
    propylene glycol 20.31
    isopropyl acetate 127.61
    DMAc 471.58
    2-ethoxyethanol 92.25
    isopentanol 43.64
    n-heptane 2.98
    ethyl formate 78.75
    1,2-dichloroethane 470.32
    n-hexanol 34.35
    2-methoxyethanol 225.03
    isobutyl acetate 53.82
    tetrachloromethane 18.78
    n-pentyl acetate 42.16
    transcutol 457.55
    n-heptanol 15.95
    ethylbenzene 39.79
    MIBK 101.11
    2-propoxyethanol 110.65
    tert-butanol 99.0
    MTBE 122.46
    2-butoxyethanol 51.92
    propionic acid 81.05
    o-xylene 48.79
    formic acid 36.03
    diethyl ether 181.06
    m-xylene 43.17
    p-xylene 43.14
    chlorobenzene 121.3
    dimethyl carbonate 150.81
    n-octane 1.44
    formamide 168.74
    cyclopentanone 451.47
    2-pentanone 191.81
    anisole 117.31
    cyclopentyl methyl ether 193.57
    gamma-butyrolactone 510.23
    1-methoxy-2-propanol 154.54
    pyridine 293.15
    3-pentanone 183.83
    furfural 303.33
    n-dodecane 1.84
    diethylene glycol 96.02
    diisopropyl ether 35.85
    tert-amyl alcohol 93.71
    acetylacetone 312.23
    n-hexadecane 2.24
    acetophenone 109.79
    methyl propionate 244.69
    isopentyl acetate 96.26
    trichloroethylene 740.25
    n-nonanol 15.5
    cyclohexanol 74.28
    benzyl alcohol 68.55
    2-ethylhexanol 28.25
    isooctanol 16.75
    dipropyl ether 49.5
    1,2-dichlorobenzene 103.31
    ethyl lactate 54.08
    propylene carbonate 182.2
    n-methylformamide 145.72
    2-pentanol 33.73
    n-pentane 2.29
    1-propoxy-2-propanol 79.65
    1-methoxy-2-propyl acetate 146.96
    2-(2-methoxypropoxy) propanol 92.27
    mesitylene 27.24
    ε-caprolactone 223.72
    p-cymene 21.68
    epichlorohydrin 645.03
    1,1,1-trichloroethane 230.19
    2-aminoethanol 28.35
    morpholine-4-carbaldehyde 280.74
    sulfolane 561.58
    2,2,4-trimethylpentane 3.97
    2-methyltetrahydrofuran 307.13
    n-hexyl acetate 56.39
    isooctane 2.77
    2-(2-butoxyethoxy)ethanol 109.92
    sec-butyl acetate 80.65
    tert-butyl acetate 149.12
    decalin 7.06
    glycerin 52.17
    diglyme 272.07
    acrylic acid 89.69
    isopropyl myristate 30.78
    n-butyric acid 105.3
    acetyl acetate 167.74
    di(2-ethylhexyl) phthalate 26.99
    ethyl propionate 117.59
    nitromethane 488.98
    1,2-diethoxyethane 131.88
    benzonitrile 89.98
    trioctyl phosphate 19.3
    1-bromopropane 143.58
    gamma-valerolactone 403.38
    n-decanol 12.76
    triethyl phosphate 54.25
    4-methyl-2-pentanol 25.82
    propionitrile 114.51
    vinylene carbonate 151.24
    1,1,2-trichlorotrifluoroethane 287.53
    DMS 115.58
    cumene 21.99
    2-octanol 11.66
    2-hexanone 96.41
    octyl acetate 34.06
    limonene 33.69
    1,2-dimethoxyethane 250.41
    ethyl orthosilicate 46.95
    tributyl phosphate 29.71
    diacetone alcohol 165.97
    N,N-dimethylaniline 56.82
    acrylonitrile 187.04
    aniline 116.29
    1,3-propanediol 57.78
    bromobenzene 130.38
    dibromomethane 279.28
    1,1,2,2-tetrachloroethane 529.85
    2-methyl-cyclohexyl acetate 65.23
    tetrabutyl urea 39.93
    diisobutyl methanol 23.59
    2-phenylethanol 62.08
    styrene 60.28
    dioctyl adipate 52.32
    dimethyl sulfate 251.99
    ethyl butyrate 88.7
    methyl lactate 99.08
    butyl lactate 39.29
    diethyl carbonate 70.82
    propanediol butyl ether 42.81
    triethyl orthoformate 66.03
    p-tert-butyltoluene 21.52
    methyl 4-tert-butylbenzoate 76.15
    morpholine 357.03
    tert-butylamine 42.35
    n-dodecanol 10.83
    dimethoxymethane 321.06
    ethylene carbonate 126.29
    cyrene 91.72
    2-ethoxyethyl acetate 86.65
    2-ethylhexyl acetate 70.92
    1,2,4-trichlorobenzene 130.27
    4-methylpyridine 202.93
    dibutyl ether 38.29
    2,6-dimethyl-4-heptanol 23.59
    DEF 234.72
    dimethyl isosorbide 169.52
    tetrachloroethylene 250.61
    eugenol 64.9
    triacetin 91.6
    span 80 54.34
    1,4-butanediol 13.6
    1,1-dichloroethane 258.69
    2-methyl-1-pentanol 37.64
    methyl formate 123.5
    2-methyl-1-butanol 42.17
    n-decane 2.61
    butyronitrile 74.29
    3,7-dimethyl-1-octanol 22.95
    1-chlorooctane 14.37
    1-chlorotetradecane 7.66
    n-nonane 2.12
    undecane 2.13
    tert-butylcyclohexane 5.23
    cyclooctane 2.9
    cyclopentanol 72.93
    tetrahydropyran 278.16
    tert-amyl methyl ether 105.11
    2,5,8-trioxanonane 192.9
    1-hexene 18.27
    2-isopropoxyethanol 67.52
    2,2,2-trifluoroethanol 56.2
    methyl butyrate 133.41

    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