Benzaldehyde, 2-hydroxy-5-methyl-

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  • Identifiers

    CAS number
    613-84-3

    Molecular formula
    C8H8O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 71.17%
    Phenolic 66.97%
    Almond 60.47%
    Spicy 57.39%
    Bitter 55.71%
    Cherry 50.7%
    Medicinal 47.0%
    Vanilla 43.53%
    Fruity 37.87%
    Aromatic 36.28%

     

    Flavor
    Phenolic 57.18%
    Bitter 56.77%
    Almond 44.47%
    Sweet 42.19%
    Medical 35.55%
    Spicy 33.27%
    Vanilla 32.81%
    Woody 32.08%
    Medicinal 30.88%
    Cherry 29.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.33 (weak base)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 110.59 ˚C est.

  • Synonyms

    • 2-Hydroxy-5-methylbenzaldehyde
    • 613-84-3
    • 5-Methylsalicylaldehyde
    • Benzaldehyde, 2-hydroxy-5-methyl-
    • 5-Methylsalicylic aldehyde
    • NSC 97517
    • EINECS 210-357-6
    • DTXSID7060625
    • RefChem:117105
    • DTXCID0043006
    • 210-357-6
    • ILEIUTCVWLYZOM-UHFFFAOYSA-N
    • InChI=1/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-5,10H,1H
    • 2-Hydroxy-5-Methyl-Benzaldehyde
    • 2,5-Cresotaldehyde
    • MFCD00274297
    • PZU8U5VYK2
    • NSC-97517
    • NSC97517
    • 5methylsalicylaldehyde
    • 5-methyl salicylaldehyde
    • 4-hydroxy-m-tolualdehyde
    • UNII-PZU8U5VYK2
    • SCHEMBL172664
    • SCHEMBL6895905
    • SCHEMBL7215073
    • 5-methyl-2-hydroxy-benzaldehyde
    • SCHEMBL29951782
    • 2-Hydroxy-5-Methyl Benzaldehyde
    • CL8984
    • SBB063013
    • STK090685
    • 2-Hydroxy-5-methylbenzaldehyde, 98%
    • AKOS000112539
    • CS-W008835
    • FH05730
    • GS-3334
    • AC-22661
    • ST088225
    • SY017271
    • DB-053859
    • M1676
    • NS00034670
    • EN300-54371
    • 13M843
    • F015625
    • 2,5-Cresotaldehyde; 2-Hydroxy-5-methylbenzaldehyde
    • Z274774390
    • 613-84-3

  • Applications

    Benzaldehyde, 2-hydroxy-5-methyl- (CAS 613-84-3) is commonly used as an intermediate and building block in organic synthesis. In practice, it may serve as a fragrance note precursor in perfumery and as a flavor/aroma precursor in sensory applications, as an intermediate in pharmaceutical and fine-chemical synthesis, as a precursor in dye and pigment chemistry, and as a reactive building block for polymers and coatings formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 349.7
    methanol 403.15
    isopropanol 246.15
    water 3.01
    ethyl acetate 346.29
    n-propanol 257.52
    acetone 534.4
    n-butanol 198.15
    acetonitrile 287.94
    DMF 667.05
    toluene 54.3
    isobutanol 156.57
    1,4-dioxane 527.34
    methyl acetate 364.81
    THF 1366.3
    2-butanone 416.38
    n-pentanol 147.54
    sec-butanol 182.69
    n-hexane 8.8
    ethylene glycol 115.95
    NMP 216.13
    cyclohexane 4.33
    DMSO 687.59
    n-butyl acetate 131.79
    n-octanol 98.87
    chloroform 206.11
    n-propyl acetate 149.39
    acetic acid 145.95
    dichloromethane 210.19
    cyclohexanone 225.58
    propylene glycol 106.3
    isopropyl acetate 134.55
    DMAc 315.52
    2-ethoxyethanol 273.54
    isopentanol 150.55
    n-heptane 10.06
    ethyl formate 202.02
    1,2-dichloroethane 212.31
    n-hexanol 207.18
    2-methoxyethanol 468.96
    isobutyl acetate 86.84
    tetrachloromethane 36.17
    n-pentyl acetate 75.51
    transcutol 341.03
    n-heptanol 98.58
    ethylbenzene 45.12
    MIBK 156.75
    2-propoxyethanol 360.46
    tert-butanol 275.77
    MTBE 179.97
    2-butoxyethanol 174.41
    propionic acid 166.48
    o-xylene 38.29
    formic acid 100.07
    diethyl ether 212.09
    m-xylene 53.85
    p-xylene 51.33
    chlorobenzene 76.23
    dimethyl carbonate 130.12
    n-octane 6.49
    formamide 187.91
    cyclopentanone 511.7
    2-pentanone 294.98
    anisole 138.48
    cyclopentyl methyl ether 233.14
    gamma-butyrolactone 513.59
    1-methoxy-2-propanol 336.9
    pyridine 181.79
    3-pentanone 170.36
    furfural 258.09
    n-dodecane 6.34
    diethylene glycol 300.06
    diisopropyl ether 48.92
    tert-amyl alcohol 184.89
    acetylacetone 276.06
    n-hexadecane 7.15
    acetophenone 102.17
    methyl propionate 276.15
    isopentyl acetate 105.09
    trichloroethylene 270.99
    n-nonanol 81.23
    cyclohexanol 99.13
    benzyl alcohol 96.49
    2-ethylhexanol 87.39
    isooctanol 73.26
    dipropyl ether 92.87
    1,2-dichlorobenzene 67.87
    ethyl lactate 83.02
    propylene carbonate 171.24
    n-methylformamide 381.6
    2-pentanol 127.1
    n-pentane 6.17
    1-propoxy-2-propanol 196.53
    1-methoxy-2-propyl acetate 147.63
    2-(2-methoxypropoxy) propanol 119.91
    mesitylene 35.19
    ε-caprolactone 176.02
    p-cymene 31.2
    epichlorohydrin 624.86
    1,1,1-trichloroethane 160.51
    2-aminoethanol 183.68
    morpholine-4-carbaldehyde 312.43
    sulfolane 390.71
    2,2,4-trimethylpentane 6.85
    2-methyltetrahydrofuran 388.4
    n-hexyl acetate 111.6
    isooctane 8.26
    2-(2-butoxyethoxy)ethanol 178.43
    sec-butyl acetate 83.01
    tert-butyl acetate 150.04
    decalin 8.04
    glycerin 148.52
    diglyme 311.68
    acrylic acid 123.65
    isopropyl myristate 47.48
    n-butyric acid 185.68
    acetyl acetate 114.34
    di(2-ethylhexyl) phthalate 40.6
    ethyl propionate 132.58
    nitromethane 414.02
    1,2-diethoxyethane 116.6
    benzonitrile 93.72
    trioctyl phosphate 38.54
    1-bromopropane 113.67
    gamma-valerolactone 409.96
    n-decanol 60.78
    triethyl phosphate 45.91
    4-methyl-2-pentanol 84.83
    propionitrile 216.91
    vinylene carbonate 142.8
    1,1,2-trichlorotrifluoroethane 226.69
    DMS 89.7
    cumene 35.83
    2-octanol 68.38
    2-hexanone 172.08
    octyl acetate 63.28
    limonene 40.17
    1,2-dimethoxyethane 356.08
    ethyl orthosilicate 42.89
    tributyl phosphate 39.78
    diacetone alcohol 216.41
    N,N-dimethylaniline 78.24
    acrylonitrile 254.22
    aniline 85.74
    1,3-propanediol 248.71
    bromobenzene 67.66
    dibromomethane 134.73
    1,1,2,2-tetrachloroethane 201.8
    2-methyl-cyclohexyl acetate 64.15
    tetrabutyl urea 54.07
    diisobutyl methanol 54.87
    2-phenylethanol 124.86
    styrene 49.66
    dioctyl adipate 56.86
    dimethyl sulfate 181.31
    ethyl butyrate 92.4
    methyl lactate 123.54
    butyl lactate 64.94
    diethyl carbonate 59.24
    propanediol butyl ether 129.41
    triethyl orthoformate 54.38
    p-tert-butyltoluene 34.52
    methyl 4-tert-butylbenzoate 97.85
    morpholine 508.07
    tert-butylamine 118.65
    n-dodecanol 44.75
    dimethoxymethane 421.7
    ethylene carbonate 122.28
    cyrene 112.25
    2-ethoxyethyl acetate 104.98
    2-ethylhexyl acetate 70.84
    1,2,4-trichlorobenzene 75.34
    4-methylpyridine 163.08
    dibutyl ether 65.3
    2,6-dimethyl-4-heptanol 54.87
    DEF 192.09
    dimethyl isosorbide 181.03
    tetrachloroethylene 119.64
    eugenol 107.07
    triacetin 76.67
    span 80 92.74
    1,4-butanediol 111.58
    1,1-dichloroethane 204.22
    2-methyl-1-pentanol 105.79
    methyl formate 316.84
    2-methyl-1-butanol 126.96
    n-decane 10.16
    butyronitrile 193.78
    3,7-dimethyl-1-octanol 77.92
    1-chlorooctane 47.15
    1-chlorotetradecane 19.24
    n-nonane 9.61
    undecane 7.89
    tert-butylcyclohexane 11.43
    cyclooctane 2.98
    cyclopentanol 161.12
    tetrahydropyran 348.15
    tert-amyl methyl ether 115.14
    2,5,8-trioxanonane 202.7
    1-hexene 50.53
    2-isopropoxyethanol 180.74
    2,2,2-trifluoroethanol 79.15
    methyl butyrate 163.91

    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