2-(2-Hydroxyethoxy)benzaldehyde

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  • Identifiers

    CAS number
    22042-72-4

    Molecular formula
    C9H10O3

    SMILES
    C1=CC=C(C(=C1)C=O)OCCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 64.69%
    Vanilla 49.94%
    Spicy 42.03%
    Balsamic 38.54%
    Floral 38.06%
    Cinnamon 34.08%
    Caramellic 32.98%
    Almond 32.26%
    Aromatic 32.14%
    Powdery 30.44%

     

    Flavor
    Sweet 81.35%
    Vanilla 53.26%
    Floral 52.38%
    Balsam 46.47%
    Powdery 44.75%
    Bitter 42.29%
    Creamy 40.4%
    Spicy 39.41%
    Almond 38.49%
    Hawthorn 35.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.06 (neutral)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point

    • 151.0 ˚C est.

  • Synonyms

    • 2-(2-Hydroxyethoxy)benzaldehyde
    • 22042-72-4
    • MFCD00191449
    • DTXSID50275923
    • Phenoxyethyl formate
    • 2-hydroxyethoxybenzaldehyde
    • SCHEMBL450781
    • DTXCID70227287
    • 2-(2-hydroxyethoxy)-benzaldehyde
    • AKOS000260015
    • CS-W016061
    • NSC 404475
    • AS-60548
    • BP-10996
    • SY052645
    • AI3-18709
    • DB-045770
    • 2-(2-Hydroxyethoxy)benzaldehyde, AldrichCPR
    • H0857
    • D90964

  • Applications

    2-(2-Hydroxyethoxy)benzaldehyde (CAS 22042-72-4) is commonly employed as a synthetic building block in organic synthesis and as a fragrance- and polymer-related intermediate. In perfumery and cosmetics, it can function as a fragrance ingredient or aroma-chemical precursor derived from the salicylaldehyde framework with a hydroxyethoxy substituent. In coatings, inks and adhesives, it serves as a reactive intermediate for resin formation and as a precursor for Schiff-base crosslinking with amines, supporting functional coatings and adhesive formulations. In polymers, it is used to introduce salicylaldehyde functionality into functional polymers and to enable post-polymerization modification via aldehyde–amine chemistry. In coordination chemistry and materials research, it can act as a ligand precursor for metal complexes and related catalytic or sensing applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 347.03
    methanol 806.1
    isopropanol 152.26
    water 4.12
    ethyl acetate 267.13
    n-propanol 154.86
    acetone 730.74
    n-butanol 107.72
    acetonitrile 497.16
    DMF 913.65
    toluene 38.35
    isobutanol 86.31
    1,4-dioxane 416.74
    methyl acetate 382.87
    THF 472.2
    2-butanone 301.59
    n-pentanol 79.6
    sec-butanol 86.6
    n-hexane 2.96
    ethylene glycol 274.24
    NMP 627.5
    cyclohexane 9.63
    DMSO 2537.62
    n-butyl acetate 155.63
    n-octanol 42.45
    chloroform 321.17
    n-propyl acetate 182.97
    acetic acid 493.92
    dichloromethane 711.78
    cyclohexanone 359.82
    propylene glycol 131.18
    isopropyl acetate 91.02
    DMAc 574.14
    2-ethoxyethanol 287.02
    isopentanol 81.72
    n-heptane 6.37
    ethyl formate 274.41
    1,2-dichloroethane 549.24
    n-hexanol 76.42
    2-methoxyethanol 539.43
    isobutyl acetate 74.15
    tetrachloromethane 36.72
    n-pentyl acetate 59.43
    transcutol 558.59
    n-heptanol 33.4
    ethylbenzene 29.19
    MIBK 88.03
    2-propoxyethanol 186.76
    tert-butanol 188.8
    MTBE 87.45
    2-butoxyethanol 92.57
    propionic acid 245.68
    o-xylene 40.94
    formic acid 328.19
    diethyl ether 110.65
    m-xylene 33.52
    p-xylene 37.98
    chlorobenzene 112.04
    dimethyl carbonate 133.29
    n-octane 2.79
    formamide 728.79
    cyclopentanone 511.87
    2-pentanone 193.54
    anisole 114.23
    cyclopentyl methyl ether 141.03
    gamma-butyrolactone 677.37
    1-methoxy-2-propanol 238.27
    pyridine 285.86
    3-pentanone 133.67
    furfural 518.5
    n-dodecane 3.29
    diethylene glycol 254.47
    diisopropyl ether 21.65
    tert-amyl alcohol 110.5
    acetylacetone 269.65
    n-hexadecane 3.73
    acetophenone 139.15
    methyl propionate 231.51
    isopentyl acetate 102.64
    trichloroethylene 734.41
    n-nonanol 36.46
    cyclohexanol 101.98
    benzyl alcohol 109.57
    2-ethylhexanol 48.58
    isooctanol 29.7
    dipropyl ether 63.32
    1,2-dichlorobenzene 118.93
    ethyl lactate 94.26
    propylene carbonate 317.85
    n-methylformamide 655.24
    2-pentanol 52.14
    n-pentane 3.25
    1-propoxy-2-propanol 116.39
    1-methoxy-2-propyl acetate 126.59
    2-(2-methoxypropoxy) propanol 107.86
    mesitylene 24.27
    ε-caprolactone 279.59
    p-cymene 28.38
    epichlorohydrin 695.68
    1,1,1-trichloroethane 186.02
    2-aminoethanol 241.99
    morpholine-4-carbaldehyde 474.84
    sulfolane 874.54
    2,2,4-trimethylpentane 3.82
    2-methyltetrahydrofuran 256.45
    n-hexyl acetate 90.08
    isooctane 2.91
    2-(2-butoxyethoxy)ethanol 141.76
    sec-butyl acetate 77.01
    tert-butyl acetate 90.22
    decalin 7.33
    glycerin 237.15
    diglyme 343.74
    acrylic acid 263.99
    isopropyl myristate 33.98
    n-butyric acid 217.99
    acetyl acetate 154.9
    di(2-ethylhexyl) phthalate 40.82
    ethyl propionate 129.26
    nitromethane 1273.41
    1,2-diethoxyethane 134.43
    benzonitrile 157.09
    trioctyl phosphate 31.88
    1-bromopropane 120.37
    gamma-valerolactone 510.08
    n-decanol 28.65
    triethyl phosphate 58.0
    4-methyl-2-pentanol 30.73
    propionitrile 217.51
    vinylene carbonate 270.27
    1,1,2-trichlorotrifluoroethane 391.76
    DMS 117.58
    cumene 23.49
    2-octanol 22.58
    2-hexanone 134.74
    octyl acetate 47.4
    limonene 43.46
    1,2-dimethoxyethane 438.68
    ethyl orthosilicate 47.11
    tributyl phosphate 42.25
    diacetone alcohol 150.9
    N,N-dimethylaniline 74.44
    acrylonitrile 387.43
    aniline 105.78
    1,3-propanediol 256.73
    bromobenzene 100.4
    dibromomethane 328.91
    1,1,2,2-tetrachloroethane 444.87
    2-methyl-cyclohexyl acetate 74.66
    tetrabutyl urea 62.96
    diisobutyl methanol 29.62
    2-phenylethanol 83.67
    styrene 42.2
    dioctyl adipate 63.49
    dimethyl sulfate 273.82
    ethyl butyrate 116.5
    methyl lactate 142.63
    butyl lactate 68.53
    diethyl carbonate 90.06
    propanediol butyl ether 106.08
    triethyl orthoformate 68.91
    p-tert-butyltoluene 25.24
    methyl 4-tert-butylbenzoate 87.03
    morpholine 446.34
    tert-butylamine 70.85
    n-dodecanol 23.27
    dimethoxymethane 346.37
    ethylene carbonate 215.97
    cyrene 138.32
    2-ethoxyethyl acetate 100.57
    2-ethylhexyl acetate 74.58
    1,2,4-trichlorobenzene 143.77
    4-methylpyridine 220.38
    dibutyl ether 47.76
    2,6-dimethyl-4-heptanol 29.62
    DEF 263.9
    dimethyl isosorbide 171.84
    tetrachloroethylene 263.49
    eugenol 93.16
    triacetin 115.43
    span 80 78.74
    1,4-butanediol 116.28
    1,1-dichloroethane 282.94
    2-methyl-1-pentanol 61.1
    methyl formate 549.34
    2-methyl-1-butanol 72.1
    n-decane 4.64
    butyronitrile 170.51
    3,7-dimethyl-1-octanol 41.96
    1-chlorooctane 26.4
    1-chlorotetradecane 11.55
    n-nonane 4.29
    undecane 3.8
    tert-butylcyclohexane 5.94
    cyclooctane 3.56
    cyclopentanol 140.28
    tetrahydropyran 235.19
    tert-amyl methyl ether 64.63
    2,5,8-trioxanonane 209.01
    1-hexene 17.77
    2-isopropoxyethanol 151.34
    2,2,2-trifluoroethanol 195.79
    methyl butyrate 208.12

    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