2-Ethoxybenzoic acid

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  • Identifiers

    CAS number
    134-11-2

    Molecular formula
    C9H10O3

    SMILES
    CCOC1=CC=CC=C1C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 56.11%
    Phenolic 55.31%
    Balsamic 45.39%
    Floral 45.16%
    Aromatic 40.52%
    Vanilla 37.54%
    Herbal 36.82%
    Spicy 35.98%
    Animal 35.8%
    Medicinal 31.32%

     

    Flavor
    Sweet 79.28%
    Balsam 53.56%
    Floral 43.4%
    Powdery 41.24%
    Balsamic 38.9%
    Faint 35.15%
    Vanilla 32.84%
    Wintergreen 32.67%
    Honey 31.58%
    Phenolic 31.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.72 (neutral)

    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

    • 140.77 ˚C est.

  • Synonyms

    • 2-Ethoxybenzoic acid
    • 134-11-2
    • o-Ethoxybenzoic acid
    • Benzoic acid, 2-ethoxy-
    • Benzoic acid, o-ethoxy-
    • 5IN9FDI7TT
    • ortho-Ethoxybenzoic acid
    • NSC-406710
    • DTXSID3059638
    • RefChem:86834
    • DTXCID2034176
    • 205-130-3
    • MFCD00002438
    • Benzoic acid, ethoxy-
    • Ethoxybenzoic acid
    • 2-Ethoxybenzoic Acid; NSC 406710; o-Ethoxybenzoic Acid
    • 2-Ethoxybenzoicacid
    • EINECS 205-130-3
    • 2-ethoxybenzoic-acid
    • NSC 406710
    • 2-ethoxy benzoic acid
    • 2-Ethoxy-benzoic Acid
    • AI3-06193
    • UNII-5IN9FDI7TT
    • 2-(ethyloxy)benzoic acid
    • 2-Ethoxybenzoic acid, 98%
    • 30734-87-3
    • SCHEMBL124831
    • SCHEMBL599865
    • orb3030519
    • SCHEMBL3503701
    • SCHEMBL3503702
    • SCHEMBL4318856
    • SCHEMBL4334104
    • SCHEMBL6969031
    • CHEMBL4303266
    • EBC-12928
    • NSC406710
    • SBB063520
    • STL169122
    • AKOS000103127
    • AC-2854
    • CS-W010809
    • FE07766
    • FS-3178
    • PD063458
    • SY003127
    • DB-021019
    • DB-319271
    • E0044
    • NS00024324
    • ST45046597
    • EN300-20425
    • D70509
    • F078934
    • Q4596879
    • BRD-K04843302-001-02-5
    • F3145-4971
    • Z104478128
    • InChI=1/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11
    • 134-11-2

  • Applications

    2-Ethoxybenzoic acid (CAS 134-11-2) is primarily used as an organic synthesis intermediate. It is commonly employed as a building block in the preparation of pharmaceutical intermediates and other specialty chemicals; it also serves as a precursor for dyes and pigments and can be evaluated for fragrance applications as an intermediate in fragrance chemistry. Additionally, it may be used as a precursor for agrochemicals and can function as a building block or additive in polymer and coating formulations, including coatings and inks, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 234.41
    methanol 347.25
    isopropanol 131.71
    water 0.59
    ethyl acetate 72.12
    n-propanol 146.71
    acetone 253.76
    n-butanol 121.35
    acetonitrile 103.23
    DMF 987.35
    toluene 37.32
    isobutanol 90.41
    1,4-dioxane 212.14
    methyl acetate 104.78
    THF 414.67
    2-butanone 133.59
    n-pentanol 94.17
    sec-butanol 93.23
    n-hexane 7.82
    ethylene glycol 159.47
    NMP 504.4
    cyclohexane 12.26
    DMSO 1160.38
    n-butyl acetate 66.86
    n-octanol 57.96
    chloroform 231.67
    n-propyl acetate 58.15
    acetic acid 141.08
    dichloromethane 360.19
    cyclohexanone 198.8
    propylene glycol 113.38
    isopropyl acetate 49.0
    DMAc 421.1
    2-ethoxyethanol 149.29
    isopentanol 83.89
    n-heptane 9.69
    ethyl formate 105.31
    1,2-dichloroethane 233.96
    n-hexanol 97.31
    2-methoxyethanol 331.72
    isobutyl acetate 42.23
    tetrachloromethane 28.4
    n-pentyl acetate 47.95
    transcutol 182.73
    n-heptanol 49.62
    ethylbenzene 33.51
    MIBK 76.91
    2-propoxyethanol 178.95
    tert-butanol 153.93
    MTBE 74.27
    2-butoxyethanol 89.61
    propionic acid 107.39
    o-xylene 41.16
    formic acid 65.75
    diethyl ether 74.01
    m-xylene 43.59
    p-xylene 40.96
    chlorobenzene 79.97
    dimethyl carbonate 95.42
    n-octane 5.85
    formamide 136.93
    cyclopentanone 297.96
    2-pentanone 114.6
    anisole 90.46
    cyclopentyl methyl ether 107.76
    gamma-butyrolactone 324.44
    1-methoxy-2-propanol 226.73
    pyridine 123.93
    3-pentanone 82.77
    furfural 261.54
    n-dodecane 8.11
    diethylene glycol 199.89
    diisopropyl ether 23.75
    tert-amyl alcohol 106.9
    acetylacetone 150.73
    n-hexadecane 9.07
    acetophenone 92.55
    methyl propionate 105.95
    isopentyl acetate 62.12
    trichloroethylene 317.23
    n-nonanol 53.71
    cyclohexanol 92.66
    benzyl alcohol 92.43
    2-ethylhexanol 54.87
    isooctanol 41.48
    dipropyl ether 54.31
    1,2-dichlorobenzene 87.44
    ethyl lactate 71.17
    propylene carbonate 172.24
    n-methylformamide 307.38
    2-pentanol 65.16
    n-pentane 8.11
    1-propoxy-2-propanol 114.62
    1-methoxy-2-propyl acetate 98.14
    2-(2-methoxypropoxy) propanol 104.35
    mesitylene 34.47
    ε-caprolactone 143.91
    p-cymene 35.03
    epichlorohydrin 359.39
    1,1,1-trichloroethane 123.94
    2-aminoethanol 179.51
    morpholine-4-carbaldehyde 337.57
    sulfolane 614.27
    2,2,4-trimethylpentane 7.19
    2-methyltetrahydrofuran 157.64
    n-hexyl acetate 80.22
    isooctane 6.58
    2-(2-butoxyethoxy)ethanol 127.8
    sec-butyl acetate 36.74
    tert-butyl acetate 69.4
    decalin 12.07
    glycerin 162.64
    diglyme 215.86
    acrylic acid 120.75
    isopropyl myristate 44.57
    n-butyric acid 108.94
    acetyl acetate 62.55
    di(2-ethylhexyl) phthalate 53.93
    ethyl propionate 58.96
    nitromethane 253.7
    1,2-diethoxyethane 67.97
    benzonitrile 96.46
    trioctyl phosphate 46.52
    1-bromopropane 94.24
    gamma-valerolactone 297.48
    n-decanol 46.09
    triethyl phosphate 51.87
    4-methyl-2-pentanol 42.55
    propionitrile 89.84
    vinylene carbonate 162.55
    1,1,2-trichlorotrifluoroethane 222.93
    DMS 79.78
    cumene 32.3
    2-octanol 37.31
    2-hexanone 75.23
    octyl acetate 56.56
    limonene 48.2
    1,2-dimethoxyethane 246.58
    ethyl orthosilicate 44.36
    tributyl phosphate 48.01
    diacetone alcohol 127.53
    N,N-dimethylaniline 76.17
    acrylonitrile 135.88
    aniline 72.31
    1,3-propanediol 173.21
    bromobenzene 78.93
    dibromomethane 206.02
    1,1,2,2-tetrachloroethane 252.67
    2-methyl-cyclohexyl acetate 69.24
    tetrabutyl urea 75.67
    diisobutyl methanol 37.8
    2-phenylethanol 86.83
    styrene 39.89
    dioctyl adipate 69.92
    dimethyl sulfate 218.44
    ethyl butyrate 63.69
    methyl lactate 118.27
    butyl lactate 58.54
    diethyl carbonate 56.48
    propanediol butyl ether 96.41
    triethyl orthoformate 50.27
    p-tert-butyltoluene 34.69
    methyl 4-tert-butylbenzoate 105.81
    morpholine 218.18
    tert-butylamine 80.26
    n-dodecanol 38.57
    dimethoxymethane 321.56
    ethylene carbonate 119.38
    cyrene 134.96
    2-ethoxyethyl acetate 66.76
    2-ethylhexyl acetate 47.85
    1,2,4-trichlorobenzene 104.29
    4-methylpyridine 116.46
    dibutyl ether 44.54
    2,6-dimethyl-4-heptanol 37.8
    DEF 162.53
    dimethyl isosorbide 176.01
    tetrachloroethylene 134.76
    eugenol 107.85
    triacetin 83.94
    span 80 95.42
    1,4-butanediol 89.15
    1,1-dichloroethane 148.37
    2-methyl-1-pentanol 69.97
    methyl formate 252.91
    2-methyl-1-butanol 79.84
    n-decane 10.21
    butyronitrile 91.28
    3,7-dimethyl-1-octanol 53.35
    1-chlorooctane 39.28
    1-chlorotetradecane 22.24
    n-nonane 9.27
    undecane 9.0
    tert-butylcyclohexane 11.63
    cyclooctane 5.54
    cyclopentanol 123.52
    tetrahydropyran 142.98
    tert-amyl methyl ether 64.26
    2,5,8-trioxanonane 185.82
    1-hexene 29.99
    2-isopropoxyethanol 92.45
    2,2,2-trifluoroethanol 57.18
    methyl butyrate 88.13

    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