Ethyl 3-hydroxybenzoate

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  • Identifiers

    CAS number
    7781-98-8

    Molecular formula
    C9H10O3

    SMILES
    CCOC(=O)C1=CC(=CC=C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 57.73%
    Floral 51.25%
    Sweet 44.13%
    Vanilla 36.74%
    Aromatic 35.8%
    Animal 35.72%
    Fruity 34.31%
    Balsamic 33.84%
    Powdery 31.75%
    Spicy 30.97%

     

    Flavor
    Bitter 47.87%
    Sweet 45.81%
    Balsam 45.07%
    Floral 40.66%
    Wintergreen 39.95%
    Powdery 32.65%
    Herbal 30.31%
    Balsamic 28.94%
    Faint 27.9%
    Fruity 27.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.45 (weak base)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point

    • 124.54 ˚C est.

  • Synonyms

    • Ethyl 3-hydroxybenzoate
    • 7781-98-8
    • Benzoic acid, 3-hydroxy-, ethyl ester
    • EINECS 231-951-1
    • AI3-20683
    • DTXSID10228435
    • NSC 32427
    • RefChem:594982
    • DTXCID30150926
    • 231-951-1
    • InChI=1/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H
    • Ethyl m-hydroxybenzoate
    • m-Ethoxycarbonylphenol
    • 3-Hydroxybenzoic Acid Ethyl Ester
    • ETHYL-3-HYDROXYBENZOATE
    • MFCD00002296
    • m-Hydroxybenzoic acid ethyl ester
    • 3-hydroxy-benzoic acid ethyl ester
    • Benzoic acid, m-hydroxy-, ethyl ester
    • ethyl-3-hydroxy-benzoate
    • Ethyl 3-hydroxyl-benzoate
    • SCHEMBL149288
    • SCHEMBL163304
    • Ethyl 3-hydroxybenzoate, 99%
    • orb1909181
    • SCHEMBL6426350
    • SCHEMBL9196323
    • SCHEMBL9658861
    • SCHEMBL29890037
    • META HYDROXY ETHYLBENZOATE
    • NSC32427
    • NSC-32427
    • SBB038646
    • STK062852
    • Benzoic acid, m-hydroxy, ethyl ester
    • AKOS000120553
    • CCG-357317
    • CS-W017877
    • EBC-152325
    • FE71287
    • GS-3102
    • SY016314
    • DB-056260
    • E0333
    • NS00037952
    • ST45049399
    • EN300-16107
    • F11274
    • AE-562/40233260
    • F079871
    • Q63409799
    • Z53833420
    • F3310-0952
    • 7781-98-8

  • Applications

    Ethyl 3-hydroxybenzoate (CAS 7781-98-8) is primarily used as an intermediate in the synthesis of more complex aromatic compounds and specialty chemicals. In fragrance and cosmetic applications, it serves as a precursor for fragrance ingredients and as a building block for formulation. It is also used as a starting material for the synthesis of pharmaceutical and agrochemical compounds, enabling functionalized phenolic derivatives. In polymer and plastics chemistry, it is employed as a building block to prepare specialty monomers or additives. In coatings, inks, and adhesives, it can be processed to yield derivatives that tailor performance. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 405.72
    methanol 612.94
    isopropanol 328.96
    water 0.81
    ethyl acetate 275.77
    n-propanol 283.42
    acetone 531.08
    n-butanol 262.26
    acetonitrile 375.72
    DMF 1147.46
    toluene 111.33
    isobutanol 197.34
    1,4-dioxane 508.2
    methyl acetate 418.62
    THF 516.87
    2-butanone 428.63
    n-pentanol 195.14
    sec-butanol 305.17
    n-hexane 7.77
    ethylene glycol 127.54
    NMP 491.14
    cyclohexane 9.63
    DMSO 1106.96
    n-butyl acetate 254.93
    n-octanol 97.67
    chloroform 355.97
    n-propyl acetate 218.78
    acetic acid 333.77
    dichloromethane 449.19
    cyclohexanone 334.35
    propylene glycol 104.28
    isopropyl acetate 132.85
    DMAc 810.64
    2-ethoxyethanol 362.3
    isopentanol 246.19
    n-heptane 5.16
    ethyl formate 212.48
    1,2-dichloroethane 377.31
    n-hexanol 161.1
    2-methoxyethanol 540.0
    isobutyl acetate 101.92
    tetrachloromethane 31.02
    n-pentyl acetate 107.92
    transcutol 780.45
    n-heptanol 75.78
    ethylbenzene 92.19
    MIBK 154.96
    2-propoxyethanol 269.75
    tert-butanol 524.13
    MTBE 322.14
    2-butoxyethanol 149.25
    propionic acid 205.95
    o-xylene 94.15
    formic acid 160.25
    diethyl ether 263.46
    m-xylene 85.41
    p-xylene 109.83
    chlorobenzene 147.85
    dimethyl carbonate 141.2
    n-octane 4.38
    formamide 394.18
    cyclopentanone 409.6
    2-pentanone 280.61
    anisole 239.01
    cyclopentyl methyl ether 188.11
    gamma-butyrolactone 482.84
    1-methoxy-2-propanol 350.38
    pyridine 318.62
    3-pentanone 200.37
    furfural 425.17
    n-dodecane 6.72
    diethylene glycol 255.7
    diisopropyl ether 54.35
    tert-amyl alcohol 431.04
    acetylacetone 282.75
    n-hexadecane 7.65
    acetophenone 211.18
    methyl propionate 247.71
    isopentyl acetate 183.12
    trichloroethylene 594.93
    n-nonanol 80.76
    cyclohexanol 165.05
    benzyl alcohol 192.38
    2-ethylhexanol 93.17
    isooctanol 63.57
    dipropyl ether 86.61
    1,2-dichlorobenzene 137.46
    ethyl lactate 100.16
    propylene carbonate 227.2
    n-methylformamide 426.98
    2-pentanol 181.48
    n-pentane 6.68
    1-propoxy-2-propanol 174.58
    1-methoxy-2-propyl acetate 170.42
    2-(2-methoxypropoxy) propanol 170.59
    mesitylene 49.06
    ε-caprolactone 268.86
    p-cymene 45.19
    epichlorohydrin 554.98
    1,1,1-trichloroethane 200.17
    2-aminoethanol 196.94
    morpholine-4-carbaldehyde 462.73
    sulfolane 557.26
    2,2,4-trimethylpentane 9.73
    2-methyltetrahydrofuran 341.78
    n-hexyl acetate 175.78
    isooctane 6.36
    2-(2-butoxyethoxy)ethanol 237.05
    sec-butyl acetate 125.37
    tert-butyl acetate 168.67
    decalin 14.42
    glycerin 163.87
    diglyme 424.51
    acrylic acid 195.79
    isopropyl myristate 61.71
    n-butyric acid 222.34
    acetyl acetate 154.21
    di(2-ethylhexyl) phthalate 58.3
    ethyl propionate 163.52
    nitromethane 668.49
    1,2-diethoxyethane 226.75
    benzonitrile 204.02
    trioctyl phosphate 46.26
    1-bromopropane 164.77
    gamma-valerolactone 452.07
    n-decanol 62.55
    triethyl phosphate 68.76
    4-methyl-2-pentanol 95.08
    propionitrile 270.47
    vinylene carbonate 223.93
    1,1,2-trichlorotrifluoroethane 310.91
    DMS 156.5
    cumene 58.65
    2-octanol 61.8
    2-hexanone 210.35
    octyl acetate 82.99
    limonene 62.06
    1,2-dimethoxyethane 554.54
    ethyl orthosilicate 63.35
    tributyl phosphate 58.78
    diacetone alcohol 230.11
    N,N-dimethylaniline 147.06
    acrylonitrile 352.36
    aniline 180.03
    1,3-propanediol 263.29
    bromobenzene 146.07
    dibromomethane 266.59
    1,1,2,2-tetrachloroethane 441.51
    2-methyl-cyclohexyl acetate 98.57
    tetrabutyl urea 83.95
    diisobutyl methanol 55.23
    2-phenylethanol 146.72
    styrene 120.28
    dioctyl adipate 88.74
    dimethyl sulfate 236.84
    ethyl butyrate 137.26
    methyl lactate 127.97
    butyl lactate 93.59
    diethyl carbonate 106.59
    propanediol butyl ether 161.58
    triethyl orthoformate 85.2
    p-tert-butyltoluene 45.05
    methyl 4-tert-butylbenzoate 127.69
    morpholine 512.61
    tert-butylamine 252.28
    n-dodecanol 47.93
    dimethoxymethane 418.1
    ethylene carbonate 174.41
    cyrene 155.39
    2-ethoxyethyl acetate 162.34
    2-ethylhexyl acetate 134.67
    1,2,4-trichlorobenzene 168.52
    4-methylpyridine 349.18
    dibutyl ether 105.51
    2,6-dimethyl-4-heptanol 55.23
    DEF 340.29
    dimethyl isosorbide 220.31
    tetrachloroethylene 250.62
    eugenol 147.06
    triacetin 147.11
    span 80 116.78
    1,4-butanediol 115.53
    1,1-dichloroethane 284.52
    2-methyl-1-pentanol 181.97
    methyl formate 348.42
    2-methyl-1-butanol 225.65
    n-decane 9.84
    butyronitrile 233.79
    3,7-dimethyl-1-octanol 89.78
    1-chlorooctane 55.93
    1-chlorotetradecane 23.36
    n-nonane 8.44
    undecane 8.02
    tert-butylcyclohexane 13.84
    cyclooctane 3.81
    cyclopentanol 164.09
    tetrahydropyran 325.02
    tert-amyl methyl ether 235.35
    2,5,8-trioxanonane 282.56
    1-hexene 62.81
    2-isopropoxyethanol 231.49
    2,2,2-trifluoroethanol 113.88
    methyl butyrate 244.63

    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