3-Hydroxybenzaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    100-83-4

    Molecular formula
    C7H6O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 76.06%
    Phenolic 69.52%
    Almond 57.37%
    Vanilla 52.49%
    Bitter 49.73%
    Medicinal 46.69%
    Nutty 46.54%
    Cherry 45.3%
    Spicy 44.92%
    Coumarinic 38.59%

     

    Flavor
    Almond 51.8%
    Phenolic 51.06%
    Bitter 44.72%
    Sweet 41.68%
    Woody 38.58%
    Medical 37.58%
    Nutty 37.48%
    Cherry 33.62%
    Cinnamon 29.77%
    Balsam 29.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.65 (weak base)

    Molecular weight
    122.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    277°C

    Flash point

    • 110.48 ˚C est.

  • Synonyms

    • 3-hydroxybenzaldehyde
    • 100-83-4
    • m-Hydroxybenzaldehyde
    • Benzaldehyde, 3-hydroxy-
    • m-Formylphenol
    • 3-Formylphenol
    • meta-Hydroxybenzaldehyde
    • Benzaldehyde, m-hydroxy-
    • 3-HYDROXY-BENZALDEHYDE
    • 3-Hydroxybenzaldehyd
    • MFCD00003368
    • NSC 3504
    • EINECS 202-892-9
    • BRN 0507099
    • 3-oxidanylbenzaldehyde
    • m-hydroxy benzaldehyde
    • UNII-8Z2819J40E
    • CHEBI:16207
    • AI3-12120
    • NSC-3504
    • 8Z2819J40E
    • DTXSID7059220
    • EC 202-892-9
    • 4-08-00-00240 (Beilstein Handbook Reference)
    • 3-hydroxy benzaldehyde
    • mFormylphenol
    • 3Formylphenol
    • mHydroxybenzaldehyde
    • 3-hydroxylbenzaldehyde
    • metaHydroxybenzaldehyde
    • Benzaldehyde, mhydroxy
    • Benzaldehyde, 3hydroxy
    • 3-hydroxy benzoaldehyde
    • Hydroxybenzaldehyde, 3-
    • (3-hydroxyphenyl)methanone
    • SCHEMBL35726
    • (3-hydroxyphenyl) formaldehyde
    • CHEMBL243816
    • HYDROXYBENZALDEHYDE. 3-
    • 3-Hydroxybenzaldehyde, >=99%
    • DTXCID8032461
    • NSC3504
    • CS-M0589
    • STR01419
    • 3-Formylphenol;m-Hydroxybenzaldehyde
    • s3157
    • STK199259
    • AKOS000119743
    • AC-1263
    • FH24310
    • SB40492
    • HY-76006
    • SY001091
    • H0197
    • NS00006270
    • EN300-18280
    • C03067
    • P17108
    • Q2815988
    • Z57772446
    • F2190-0629
    • 3-Hydroxybenzaldehyde, purum, >=95.0% (HPLC), faintly yellow to light brown
    • 202-892-9

  • Applications

    3-Hydroxybenzaldehyde (CAS 100-83-4) is a versatile intermediate in organic synthesis, used as a building block for fragrance compounds in perfumery and as a scent ingredient in personal care cosmetics; it also serves as a precursor for azo dyes and other colorants in the dyes/pigments sector; in materials and polymer chemistry it functions as a precursor for aromatic monomers and functional systems used in coatings and inks; in the pharmaceutical field it commonly serves as an intermediate for the synthesis of bioactive molecules and heterocyclic frameworks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 389.56
    methanol 652.61
    isopropanol 218.5
    water 6.97
    ethyl acetate 241.93
    n-propanol 249.93
    acetone 197.09
    n-butanol 179.7
    acetonitrile 234.34
    DMF 453.88
    toluene 26.75
    isobutanol 124.87
    1,4-dioxane 380.29
    methyl acetate 282.41
    THF 434.07
    2-butanone 195.99
    n-pentanol 143.66
    sec-butanol 150.15
    n-hexane 2.65
    ethylene glycol 164.01
    NMP 159.32
    cyclohexane 2.04
    DMSO 410.96
    n-butyl acetate 104.19
    n-octanol 66.06
    chloroform 56.48
    n-propyl acetate 142.2
    acetic acid 247.92
    dichloromethane 56.0
    cyclohexanone 103.67
    propylene glycol 106.24
    isopropyl acetate 101.05
    DMAc 310.49
    2-ethoxyethanol 337.89
    isopentanol 135.89
    n-heptane 6.44
    ethyl formate 119.0
    1,2-dichloroethane 69.94
    n-hexanol 129.37
    2-methoxyethanol 502.46
    isobutyl acetate 82.45
    tetrachloromethane 11.43
    n-pentyl acetate 55.0
    transcutol 945.88
    n-heptanol 63.34
    ethylbenzene 21.93
    MIBK 101.49
    2-propoxyethanol 271.34
    tert-butanol 265.39
    MTBE 136.55
    2-butoxyethanol 144.85
    propionic acid 199.97
    o-xylene 25.48
    formic acid 204.38
    diethyl ether 177.59
    m-xylene 27.88
    p-xylene 24.96
    chlorobenzene 29.53
    dimethyl carbonate 94.95
    n-octane 3.07
    formamide 384.36
    cyclopentanone 164.49
    2-pentanone 147.87
    anisole 105.45
    cyclopentyl methyl ether 124.82
    gamma-butyrolactone 237.38
    1-methoxy-2-propanol 290.87
    pyridine 119.92
    3-pentanone 89.57
    furfural 189.65
    n-dodecane 3.9
    diethylene glycol 280.68
    diisopropyl ether 38.14
    tert-amyl alcohol 171.74
    acetylacetone 163.82
    n-hexadecane 4.25
    acetophenone 86.25
    methyl propionate 175.39
    isopentyl acetate 85.28
    trichloroethylene 106.63
    n-nonanol 58.23
    cyclohexanol 69.84
    benzyl alcohol 80.87
    2-ethylhexanol 66.43
    isooctanol 50.87
    dipropyl ether 75.4
    1,2-dichlorobenzene 31.23
    ethyl lactate 74.88
    propylene carbonate 115.5
    n-methylformamide 317.44
    2-pentanol 114.85
    n-pentane 2.9
    1-propoxy-2-propanol 166.21
    1-methoxy-2-propyl acetate 130.9
    2-(2-methoxypropoxy) propanol 147.0
    mesitylene 19.25
    ε-caprolactone 118.14
    p-cymene 20.78
    epichlorohydrin 258.33
    1,1,1-trichloroethane 54.25
    2-aminoethanol 240.45
    morpholine-4-carbaldehyde 295.26
    sulfolane 209.18
    2,2,4-trimethylpentane 4.05
    2-methyltetrahydrofuran 212.84
    n-hexyl acetate 85.76
    isooctane 4.77
    2-(2-butoxyethoxy)ethanol 231.26
    sec-butyl acetate 87.05
    tert-butyl acetate 117.91
    decalin 4.26
    glycerin 171.2
    diglyme 408.44
    acrylic acid 162.12
    isopropyl myristate 40.05
    n-butyric acid 167.4
    acetyl acetate 102.08
    di(2-ethylhexyl) phthalate 34.44
    ethyl propionate 109.67
    nitromethane 461.45
    1,2-diethoxyethane 173.61
    benzonitrile 68.02
    trioctyl phosphate 29.16
    1-bromopropane 33.01
    gamma-valerolactone 234.5
    n-decanol 45.03
    triethyl phosphate 41.71
    4-methyl-2-pentanol 73.3
    propionitrile 161.17
    vinylene carbonate 103.43
    1,1,2-trichlorotrifluoroethane 177.04
    DMS 85.16
    cumene 20.21
    2-octanol 39.03
    2-hexanone 123.21
    octyl acetate 51.52
    limonene 27.22
    1,2-dimethoxyethane 384.78
    ethyl orthosilicate 39.8
    tributyl phosphate 35.9
    diacetone alcohol 176.82
    N,N-dimethylaniline 65.12
    acrylonitrile 196.46
    aniline 61.22
    1,3-propanediol 269.7
    bromobenzene 20.84
    dibromomethane 28.47
    1,1,2,2-tetrachloroethane 87.73
    2-methyl-cyclohexyl acetate 58.0
    tetrabutyl urea 49.6
    diisobutyl methanol 42.77
    2-phenylethanol 84.87
    styrene 25.49
    dioctyl adipate 56.84
    dimethyl sulfate 123.36
    ethyl butyrate 83.1
    methyl lactate 103.23
    butyl lactate 56.5
    diethyl carbonate 61.52
    propanediol butyl ether 128.73
    triethyl orthoformate 56.04
    p-tert-butyltoluene 21.36
    methyl 4-tert-butylbenzoate 78.13
    morpholine 401.61
    tert-butylamine 113.35
    n-dodecanol 34.85
    dimethoxymethane 314.55
    ethylene carbonate 85.44
    cyrene 108.03
    2-ethoxyethyl acetate 106.31
    2-ethylhexyl acetate 58.19
    1,2,4-trichlorobenzene 41.0
    4-methylpyridine 94.45
    dibutyl ether 62.76
    2,6-dimethyl-4-heptanol 42.77
    DEF 161.22
    dimethyl isosorbide 189.79
    tetrachloroethylene 56.83
    eugenol 96.21
    triacetin 94.78
    span 80 92.64
    1,4-butanediol 122.65
    1,1-dichloroethane 52.89
    2-methyl-1-pentanol 107.34
    methyl formate 219.01
    2-methyl-1-butanol 113.35
    n-decane 6.01
    butyronitrile 115.34
    3,7-dimethyl-1-octanol 61.41
    1-chlorooctane 26.92
    1-chlorotetradecane 11.83
    n-nonane 5.11
    undecane 4.73
    tert-butylcyclohexane 5.68
    cyclooctane 1.51
    cyclopentanol 90.05
    tetrahydropyran 195.06
    tert-amyl methyl ether 93.62
    2,5,8-trioxanonane 276.78
    1-hexene 20.52
    2-isopropoxyethanol 213.03
    2,2,2-trifluoroethanol 104.39
    methyl butyrate 134.65

    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