3-Methylsalicylaldehyde

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  • Identifiers

    CAS number
    824-42-0

    Molecular formula
    C8H8O2

    SMILES
    CC1=C(C(=CC=C1)C=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 76.28%
    Phenolic 67.15%
    Spicy 59.75%
    Almond 56.52%
    Bitter 50.32%
    Medicinal 49.07%
    Vanilla 48.99%
    Cherry 42.0%
    Burnt 41.24%
    Smoky 40.67%

     

    Flavor
    Sweet 61.96%
    Phenolic 54.4%
    Almond 50.12%
    Bitter 48.58%
    Vanilla 39.84%
    Hawthorn 37.7%
    Spicy 35.41%
    Woody 35.05%
    Medical 32.56%
    Powdery 32.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.35 (weak base)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point

    • 109.45 ˚C est.

  • Synonyms

    • 2-Hydroxy-3-methylbenzaldehyde
    • 3-Methylsalicylaldehyde
    • 824-42-0
    • 3-methyl-2-hydroxybenzaldehyde
    • 3-methylsalicylic aldehyde
    • CHEBI:20110
    • DTXSID40335060
    • RefChem:504356
    • DTXCID40286149
    • 628-580-6
    • 2-hydroxy-3-methyl-benzaldehyde
    • 2,3-Cresotaldehyde
    • MFCD00040798
    • 2-Hydroxy-3-methyl benzaldehyde
    • Benzaldehyde, hydroxy-3-methyl-
    • 2,3-Cresotaldehyde (6CI,7CI,8CI); 2-Hydroxy-3-methylbenzaldehyde; 2-Hydroxy-m-tolualdehyde; 3-Methyl-2-hydroxybenzaldehyde; 3-Methylsalicylaldehyde; o-Homosalicylaldehyde
    • bmse000843
    • SCHEMBL172956
    • orb2941074
    • SCHEMBL6273994
    • 2-hydroxyl-3-methylbenzaldehyde
    • SCHEMBL29957719
    • SBB068759
    • STL185648
    • 2-Hydroxy-3-methylbenzaldehyde, 98%
    • AKOS000111532
    • CS-W007934
    • FH04952
    • AS-18817
    • DB-056614
    • M2270
    • ST50308665
    • EN300-53663
    • F040086
    • Q27103078
    • Z406682006
    • 2,3-Cresotaldehyde, 2-Hydroxy-3-methylbenzaldehyde, 3-Methylsalicylaldehyde
    • InChI=1/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H
    • 824-42-0

  • Applications

    3-Methylsalicylaldehyde (CAS 824-42-0) is widely used as a synthetic building block in fragrance and flavor chemistry, serving as a precursor for aroma compounds and contributing to perfume notes; it provides a route to coumarin-type derivatives and related dyes for coatings and inks; in medicinal chemistry, it is evaluated as a versatile starting material for the synthesis of heterocyclic compounds and Schiff base ligands used in drug discovery research; in polymer and materials science, it can be used as a functionalized building block for post-polymerization modification of coatings and adhesives; and in coordination chemistry, its aldehyde and phenolic functionalities enable formation of Schiff bases with primary amines to prepare metal complexes of interest for catalysis and advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 165.85
    methanol 215.52
    isopropanol 102.17
    water 1.54
    ethyl acetate 248.25
    n-propanol 133.24
    acetone 151.47
    n-butanol 102.34
    acetonitrile 211.34
    DMF 215.7
    toluene 51.48
    isobutanol 69.87
    1,4-dioxane 512.22
    methyl acetate 241.7
    THF 532.44
    2-butanone 155.45
    n-pentanol 85.85
    sec-butanol 79.6
    n-hexane 6.24
    ethylene glycol 51.2
    NMP 102.61
    cyclohexane 5.66
    DMSO 294.7
    n-butyl acetate 130.68
    n-octanol 50.04
    chloroform 202.45
    n-propyl acetate 134.41
    acetic acid 135.66
    dichloromethane 206.8
    cyclohexanone 128.03
    propylene glycol 34.23
    isopropyl acetate 112.73
    DMAc 137.06
    2-ethoxyethanol 186.56
    isopentanol 96.07
    n-heptane 8.53
    ethyl formate 114.38
    1,2-dichloroethane 192.36
    n-hexanol 127.95
    2-methoxyethanol 267.29
    isobutyl acetate 74.56
    tetrachloromethane 37.44
    n-pentyl acetate 64.54
    transcutol 615.99
    n-heptanol 59.07
    ethylbenzene 35.0
    MIBK 103.55
    2-propoxyethanol 230.35
    tert-butanol 212.66
    MTBE 154.96
    2-butoxyethanol 123.71
    propionic acid 126.58
    o-xylene 39.06
    formic acid 96.91
    diethyl ether 207.7
    m-xylene 45.97
    p-xylene 41.91
    chlorobenzene 69.92
    dimethyl carbonate 94.69
    n-octane 4.48
    formamide 223.88
    cyclopentanone 196.46
    2-pentanone 127.44
    anisole 114.89
    cyclopentyl methyl ether 130.57
    gamma-butyrolactone 290.95
    1-methoxy-2-propanol 177.73
    pyridine 147.09
    3-pentanone 97.22
    furfural 208.56
    n-dodecane 4.08
    diethylene glycol 180.32
    diisopropyl ether 49.44
    tert-amyl alcohol 124.39
    acetylacetone 160.02
    n-hexadecane 4.67
    acetophenone 88.55
    methyl propionate 163.18
    isopentyl acetate 104.91
    trichloroethylene 278.41
    n-nonanol 47.06
    cyclohexanol 57.92
    benzyl alcohol 70.75
    2-ethylhexanol 64.73
    isooctanol 48.72
    dipropyl ether 84.3
    1,2-dichlorobenzene 67.76
    ethyl lactate 55.08
    propylene carbonate 122.94
    n-methylformamide 185.06
    2-pentanol 75.72
    n-pentane 5.3
    1-propoxy-2-propanol 136.53
    1-methoxy-2-propyl acetate 139.23
    2-(2-methoxypropoxy) propanol 116.0
    mesitylene 32.55
    ε-caprolactone 136.38
    p-cymene 26.99
    epichlorohydrin 370.89
    1,1,1-trichloroethane 146.5
    2-aminoethanol 85.67
    morpholine-4-carbaldehyde 227.9
    sulfolane 242.71
    2,2,4-trimethylpentane 6.29
    2-methyltetrahydrofuran 220.43
    n-hexyl acetate 89.0
    isooctane 7.45
    2-(2-butoxyethoxy)ethanol 174.53
    sec-butyl acetate 85.47
    tert-butyl acetate 144.27
    decalin 7.8
    glycerin 71.39
    diglyme 325.5
    acrylic acid 102.39
    isopropyl myristate 41.27
    n-butyric acid 133.89
    acetyl acetate 115.1
    di(2-ethylhexyl) phthalate 36.1
    ethyl propionate 109.33
    nitromethane 313.51
    1,2-diethoxyethane 183.98
    benzonitrile 76.12
    trioctyl phosphate 29.99
    1-bromopropane 82.88
    gamma-valerolactone 251.47
    n-decanol 36.29
    triethyl phosphate 48.21
    4-methyl-2-pentanol 58.62
    propionitrile 150.89
    vinylene carbonate 123.62
    1,1,2-trichlorotrifluoroethane 162.7
    DMS 87.95
    cumene 28.74
    2-octanol 37.97
    2-hexanone 114.62
    octyl acetate 50.56
    limonene 34.79
    1,2-dimethoxyethane 302.92
    ethyl orthosilicate 46.83
    tributyl phosphate 36.03
    diacetone alcohol 168.67
    N,N-dimethylaniline 66.59
    acrylonitrile 184.63
    aniline 75.03
    1,3-propanediol 127.85
    bromobenzene 64.7
    dibromomethane 129.9
    1,1,2,2-tetrachloroethane 178.28
    2-methyl-cyclohexyl acetate 65.3
    tetrabutyl urea 45.32
    diisobutyl methanol 44.74
    2-phenylethanol 90.47
    styrene 42.92
    dioctyl adipate 54.95
    dimethyl sulfate 116.15
    ethyl butyrate 94.33
    methyl lactate 70.61
    butyl lactate 51.76
    diethyl carbonate 69.22
    propanediol butyl ether 82.5
    triethyl orthoformate 63.34
    p-tert-butyltoluene 28.27
    methyl 4-tert-butylbenzoate 83.9
    morpholine 394.38
    tert-butylamine 103.34
    n-dodecanol 28.05
    dimethoxymethane 262.59
    ethylene carbonate 104.47
    cyrene 97.55
    2-ethoxyethyl acetate 122.19
    2-ethylhexyl acetate 77.08
    1,2,4-trichlorobenzene 76.07
    4-methylpyridine 99.84
    dibutyl ether 60.54
    2,6-dimethyl-4-heptanol 44.74
    DEF 120.85
    dimethyl isosorbide 184.19
    tetrachloroethylene 125.04
    eugenol 91.18
    triacetin 88.9
    span 80 79.56
    1,4-butanediol 48.09
    1,1-dichloroethane 150.17
    2-methyl-1-pentanol 77.83
    methyl formate 149.58
    2-methyl-1-butanol 72.94
    n-decane 6.45
    butyronitrile 108.22
    3,7-dimethyl-1-octanol 53.44
    1-chlorooctane 29.91
    1-chlorotetradecane 13.62
    n-nonane 5.65
    undecane 5.01
    tert-butylcyclohexane 9.53
    cyclooctane 3.17
    cyclopentanol 69.72
    tetrahydropyran 257.33
    tert-amyl methyl ether 95.61
    2,5,8-trioxanonane 211.15
    1-hexene 32.66
    2-isopropoxyethanol 133.77
    2,2,2-trifluoroethanol 68.35
    methyl butyrate 129.84

    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