Ethyl 2-(hydroxymethyl)benzoate

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  • Identifiers

    CAS number
    41071-33-4

    Molecular formula
    C10H12O3

    SMILES
    CCOC(=O)C1=CC=CC=C1CO

  • Odor profile

    Fragrance
    Floral 74.8%
    Sweet 44.07%
    Balsamic 39.86%
    Grape 36.77%
    Vanilla 34.38%
    Powdery 34.25%
    Odorless 33.22%
    Phenolic 33.07%
    Aromatic 31.52%
    Fruity 31.48%

     

    Flavor
    Sweet 72.58%
    Floral 59.31%
    Fruity 57.98%
    Balsam 51.58%
    Powdery 45.98%
    Grape 44.04%
    Bitter 42.74%
    Wintergreen 40.69%
    Strawberry 36.27%
    Flower 33.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.62 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    279°C

    Flash point

    • 133.83 ˚C est.

  • Synonyms

    • ethyl 2-(hydroxymethyl)benzoate
    • 41071-33-4
    • SCHEMBL7670783
    • MFCD17015542
    • AKOS037653469
    • GT-0041

  • Applications

    Ethyl 2-(hydroxymethyl)benzoate (CAS 41071-33-4) is primarily used as an intermediate in fragrance chemistry, providing a versatile building block for the synthesis of substituted aromatic aroma compounds and serving as a fragrance ingredient in cosmetic formulations. In perfumery, it helps shape scent profiles, while in cosmetics and personal care it is employed as a fragrance component, subject to formulation limits. In industrial manufacturing, it is used as an intermediate for preparing functionalized benzoate esters and related aromatics. In polymers and plastics, it can function as a precursor to specialty monomers or as a functionalized additive enabling post-polymerization modification. Overall, its applications are centered on fragrance-related roles and synthetic-organic intermediate use, with specific deployments governed by formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 259.93
    methanol 426.06
    isopropanol 169.91
    water 0.97
    ethyl acetate 141.58
    n-propanol 193.56
    acetone 298.16
    n-butanol 168.63
    acetonitrile 293.79
    DMF 1032.78
    toluene 89.74
    isobutanol 125.53
    1,4-dioxane 382.13
    methyl acetate 222.0
    THF 333.72
    2-butanone 210.94
    n-pentanol 136.0
    sec-butanol 151.72
    n-hexane 5.51
    ethylene glycol 123.91
    NMP 495.0
    cyclohexane 16.28
    DMSO 860.43
    n-butyl acetate 138.37
    n-octanol 82.09
    chloroform 652.63
    n-propyl acetate 139.63
    acetic acid 295.38
    dichloromethane 793.47
    cyclohexanone 315.18
    propylene glycol 81.97
    isopropyl acetate 75.34
    DMAc 510.58
    2-ethoxyethanol 231.53
    isopentanol 122.3
    n-heptane 5.75
    ethyl formate 190.11
    1,2-dichloroethane 532.6
    n-hexanol 113.07
    2-methoxyethanol 393.43
    isobutyl acetate 71.96
    tetrachloromethane 60.16
    n-pentyl acetate 86.86
    transcutol 397.49
    n-heptanol 74.04
    ethylbenzene 68.12
    MIBK 88.04
    2-propoxyethanol 184.27
    tert-butanol 225.8
    MTBE 110.98
    2-butoxyethanol 129.53
    propionic acid 190.66
    o-xylene 73.36
    formic acid 139.99
    diethyl ether 108.7
    m-xylene 64.66
    p-xylene 84.35
    chlorobenzene 188.57
    dimethyl carbonate 108.59
    n-octane 5.08
    formamide 337.46
    cyclopentanone 348.82
    2-pentanone 143.18
    anisole 154.23
    cyclopentyl methyl ether 113.58
    gamma-butyrolactone 437.3
    1-methoxy-2-propanol 219.24
    pyridine 374.3
    3-pentanone 114.14
    furfural 426.21
    n-dodecane 6.59
    diethylene glycol 207.02
    diisopropyl ether 26.86
    tert-amyl alcohol 171.52
    acetylacetone 174.61
    n-hexadecane 7.58
    acetophenone 161.0
    methyl propionate 150.7
    isopentyl acetate 104.31
    trichloroethylene 866.06
    n-nonanol 70.49
    cyclohexanol 150.27
    benzyl alcohol 161.62
    2-ethylhexanol 67.45
    isooctanol 57.67
    dipropyl ether 53.23
    1,2-dichlorobenzene 180.68
    ethyl lactate 80.42
    propylene carbonate 237.18
    n-methylformamide 455.94
    2-pentanol 89.44
    n-pentane 5.46
    1-propoxy-2-propanol 117.33
    1-methoxy-2-propyl acetate 108.17
    2-(2-methoxypropoxy) propanol 112.12
    mesitylene 43.56
    ε-caprolactone 243.72
    p-cymene 40.83
    epichlorohydrin 491.07
    1,1,1-trichloroethane 273.02
    2-aminoethanol 181.51
    morpholine-4-carbaldehyde 392.55
    sulfolane 552.79
    2,2,4-trimethylpentane 6.62
    2-methyltetrahydrofuran 178.69
    n-hexyl acetate 128.65
    isooctane 5.05
    2-(2-butoxyethoxy)ethanol 161.6
    sec-butyl acetate 71.43
    tert-butyl acetate 91.56
    decalin 13.81
    glycerin 147.66
    diglyme 318.13
    acrylic acid 207.45
    isopropyl myristate 48.58
    n-butyric acid 194.61
    acetyl acetate 105.12
    di(2-ethylhexyl) phthalate 53.17
    ethyl propionate 102.5
    nitromethane 581.17
    1,2-diethoxyethane 122.16
    benzonitrile 208.91
    trioctyl phosphate 42.26
    1-bromopropane 184.03
    gamma-valerolactone 392.84
    n-decanol 53.12
    triethyl phosphate 57.07
    4-methyl-2-pentanol 50.21
    propionitrile 224.34
    vinylene carbonate 264.42
    1,1,2-trichlorotrifluoroethane 363.79
    DMS 108.68
    cumene 47.62
    2-octanol 55.35
    2-hexanone 129.08
    octyl acetate 66.37
    limonene 54.69
    1,2-dimethoxyethane 367.12
    ethyl orthosilicate 51.79
    tributyl phosphate 47.48
    diacetone alcohol 137.01
    N,N-dimethylaniline 107.34
    acrylonitrile 380.52
    aniline 161.38
    1,3-propanediol 219.62
    bromobenzene 185.53
    dibromomethane 484.55
    1,1,2,2-tetrachloroethane 596.96
    2-methyl-cyclohexyl acetate 78.92
    tetrabutyl urea 71.96
    diisobutyl methanol 41.44
    2-phenylethanol 123.88
    styrene 97.61
    dioctyl adipate 73.42
    dimethyl sulfate 194.97
    ethyl butyrate 95.25
    methyl lactate 113.28
    butyl lactate 81.62
    diethyl carbonate 81.44
    propanediol butyl ether 125.33
    triethyl orthoformate 67.4
    p-tert-butyltoluene 37.82
    methyl 4-tert-butylbenzoate 109.15
    morpholine 383.37
    tert-butylamine 113.76
    n-dodecanol 40.82
    dimethoxymethane 282.65
    ethylene carbonate 204.76
    cyrene 135.91
    2-ethoxyethyl acetate 108.25
    2-ethylhexyl acetate 79.16
    1,2,4-trichlorobenzene 204.74
    4-methylpyridine 286.93
    dibutyl ether 67.27
    2,6-dimethyl-4-heptanol 41.44
    DEF 250.97
    dimethyl isosorbide 166.86
    tetrachloroethylene 403.72
    eugenol 126.2
    triacetin 114.93
    span 80 94.24
    1,4-butanediol 100.0
    1,1-dichloroethane 356.69
    2-methyl-1-pentanol 110.91
    methyl formate 320.03
    2-methyl-1-butanol 124.35
    n-decane 9.83
    butyronitrile 192.14
    3,7-dimethyl-1-octanol 63.63
    1-chlorooctane 52.24
    1-chlorotetradecane 21.67
    n-nonane 8.73
    undecane 7.81
    tert-butylcyclohexane 11.68
    cyclooctane 5.12
    cyclopentanol 142.65
    tetrahydropyran 233.11
    tert-amyl methyl ether 86.34
    2,5,8-trioxanonane 211.6
    1-hexene 37.23
    2-isopropoxyethanol 140.14
    2,2,2-trifluoroethanol 118.46
    methyl butyrate 166.59

    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