4-Hydroxybenzaldehyde

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  • Identifiers

    CAS number
    123-08-0

    Molecular formula
    C7H6O2

    SMILES
    C1=CC(=CC=C1C=O)O

  • Odor profile

    Sweet 83.64%
    Phenolic 75.54%
    Almond 68.06%
    Vanilla 58.14%
    Bitter 57.6%
    Medicinal 55.95%
    Nutty 55.16%
    Cherry 55.02%
    Spicy 51.92%
    Coumarinic 45.31%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    122.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 117 °C

    Boiling point

    • 310 °C
    • 310.00 to 311.00 °C. @ 760.00 mm Hg

    Flash point est.
    119.2 ˚C

    Solubility expt.

    • 8450 mg/L (at 25 °C)
    • 8.45 mg/mL at 25 °C
    • slightly soluble in water; soluble in organic solvents
    • freely soluble (in ethanol)

  • Synonyms

    • 4-hydroxybenzaldehyde
    • p-Hydroxybenzaldehyde
    • 123-08-0
    • 4-Formylphenol
    • Benzaldehyde, 4-hydroxy-
    • p-Formylphenol
    • p-Oxybenzaldehyde
    • Parahydroxybenzaldehyde
    • 4-HYDROXY-BENZALDEHYDE
    • 4-Hydroxy benzaldehyde
    • Benzaldehyde, p-hydroxy-
    • USAF M-6
    • 4-formyl phenol
    • MFCD00006939
    • Para-Hydroxybenzaldehyde
    • 4-Hydroxybenzenecarbonal
    • Hydroxybenzaldehyde
    • NSC 2127
    • EINECS 204-599-1
    • 4hydroxybenzaldehyde
    • BRN 0471352
    • CCRIS 8911
    • p-Hydroxy-benzaldehyde
    • UNII-O1738X3Y38
    • CHEBI:17597
    • AI3-15366
    • NSC-2127
    • CHEMBL14193
    • DTXSID8059552
    • FEMA NO. 3984
    • P-HYDROXYBENZALDEHYDE [MI]
    • 4-08-00-00251 (Beilstein Handbook Reference)
    • 4-HYDROXYBENZALDEHYDE [FHFI]
    • O1738X3Y38
    • formylphenol
    • pFormylphenol
    • pOxybenzaldehyde
    • 4Formylphenol
    • PARA-HYDROXY BENZALDEHYDE
    • 4-formyl-phenol
    • p-hydroxibezaldehyde
    • p-hydroxybenzaldehye
    • 4-Hydroxybenzaldehyde; Bisoprolol Fumarate Imp. S (EP); Bisoprolol Imp. S (EP); Bisoprolol Fumarate Impurity S; Bisoprolol Impurity S
    • 4-hydoxybenzaldehyde
    • 4-hydroxybenzaldehyd
    • 4-hydroxybezaldehyde
    • 4-Hydroxybenzaldehye
    • 4-hydroxibenzaldehyde
    • 4-hydroxylbenzaldehyde
    • p-hydroxy benzaldehyde
    • Benzaldehyde, phydroxy
    • 4--hydroxybenzaldehyde
    • p-hydroxyl benzaldehyde
    • Benzaldehyde, 4hydroxy
    • 4-hydroxyl benzaldehyde
    • 4-hydroxy- benzaldehyde
    • PYRILAMINE_met038
    • WLN: VHR DQ
    • bmse000259
    • bmse000582
    • bmse010005
    • SCHEMBL37193
    • 4-Hydroxybenzaldehyde, 98%
    • BIDD:ER0339
    • p-Hydroxybenzaldehyde, Pract.
    • 4-Hydroxybenzaldehyde, >=97%
    • DTXCID7033787
    • p-Hydroxybenzaldehyde (Standard)
    • CHEBI:24673
    • GTPL13597
    • HY-Y0313R
    • HYDROXYBENZALDEHYDE [INCI]
    • NSC2127
    • 1k03
    • DTXSID001018157
    • BCP26952
    • CS-D1179
    • HY-Y0313
    • STR00705
    • 4-Hydroxybenzaldehyde, >=97%, FG
    • BDBM50177411
    • BR1235
    • s6008
    • STK188428
    • AKOS000119184
    • AC-2984
    • DB03560
    • FH02556
    • PS-3635
    • NCGC00188243-01
    • NCGC00188243-02
    • 4-Hydroxybenzaldehyde, analytical standard
    • BP-30158
    • SY003489
    • 4-Hydroxybenzaldehyde, >=95.0% (HPLC)
    • DB-003763
    • H0198
    • NS00014566
    • EN300-18030
    • C00633
    • AB-131/40191192
    • BISOPROLOL FUMARATE IMPURITY S [EP IMPURITY]
    • Q1953888
    • 4-Hydroxybenzaldehyde, Vetec(TM) reagent grade, 95%
    • Z57127520
    • F2190-0635
    • p-Hydroxybenzaldehyde;4-Formylphenol;p-Formylphenol;Bisoprolol Fumarate EP Impurity S
    • 204-599-1

  • Applications

    4-Hydroxybenzaldehyde (CAS 123-08-0), also known as p-hydroxybenzaldehyde, is a versatile organic building block widely employed as an intermediate for flavor and fragrance synthesis (precursor to vanillin, piperonal, coumarin), a raw material for azo and fluorescent dyes, UV stabilizers and antioxidants in plastics, a key precursor in pharmaceutical intermediates with antimicrobial, anticancer, anti-inflammatory or antihypertensive profiles, a starting material for agrochemicals and plant growth regulators, a coupling agent in epoxy and functional polymer manufacture, a chromogenic reagent in analytical chemistry for detecting metal ions or aromatic amines, a color-forming component in photographic processing, as well as a model compound investigated for antioxidant capacity, tyrosinase inhibition, and serving as a reference standard in chromatographic quality control.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 285.64
    methanol 314.3
    isopropanol 255.65
    water 8.46
    ethyl acetate 238.52
    n-propanol 224.99
    acetone 328.3
    n-butanol 192.94
    acetonitrile 213.58
    DMF 475.94
    toluene 2.72
    isobutanol 127.79
    1,4-dioxane 215.51
    methyl acetate 273.03
    THF 392.59
    2-butanone 254.9
    n-pentanol 110.09
    sec-butanol 155.38
    n-hexane 0.98
    ethylene glycol 125.64
    NMP 323.98
    cyclohexane 0.67
    DMSO 386.03
    n-butyl acetate 77.03
    n-octanol 51.29
    chloroform 20.18
    n-propyl acetate 108.9
    acetic acid 366.48
    dichloromethane 34.39
    cyclohexanone 125.62
    propylene glycol 135.91
    isopropyl acetate 109.29
    DMAc 317.8
    2-ethoxyethanol 229.6
    isopentanol 134.4
    n-heptane 2.54
    ethyl formate 131.3
    1,2-dichloroethane 41.28
    n-hexanol 83.01
    2-methoxyethanol 396.72
    isobutyl acetate 57.9
    tetrachloromethane 5.03
    n-pentyl acetate 56.52
    transcutol 708.45
    n-heptanol 51.41
    ethylbenzene 5.56
    MIBK 100.55
    2-propoxyethanol 181.22
    tert-butanol 234.85
    MTBE 97.7
    2-butoxyethanol 126.26
    propionic acid 262.2
    o-xylene 7.33
    formic acid 257.82
    diethyl ether 99.57
    m-xylene 6.67
    p-xylene 8.54
    chlorobenzene 12.06
    dimethyl carbonate 100.24
    n-octane 1.35
    formamide 505.31
    cyclopentanone 291.15
    2-pentanone 173.71
    anisole 53.39
    cyclopentyl methyl ether 84.98
    gamma-butyrolactone 386.27
    1-methoxy-2-propanol 286.56
    pyridine 78.23
    3-pentanone 97.55
    furfural 224.7
    n-dodecane 1.98
    diethylene glycol 187.22
    diisopropyl ether 23.34
    tert-amyl alcohol 141.55
    acetylacetone 183.1
    n-hexadecane 2.14
    acetophenone 59.46
    methyl propionate 183.97
    isopentyl acetate 68.43
    trichloroethylene 75.73
    n-nonanol 44.88
    cyclohexanol 53.95
    benzyl alcohol 50.84
    2-ethylhexanol 39.54
    isooctanol 42.02
    dipropyl ether 44.06
    1,2-dichlorobenzene 16.51
    ethyl lactate 65.36
    propylene carbonate 151.16
    n-methylformamide 382.63
    2-pentanol 113.74
    n-pentane 1.12
    1-propoxy-2-propanol 113.36
    1-methoxy-2-propyl acetate 103.67
    2-(2-methoxypropoxy) propanol 119.78
    mesitylene 6.76
    ε-caprolactone 144.75
    p-cymene 11.37
    epichlorohydrin 324.98
    1,1,1-trichloroethane 28.81
    2-aminoethanol 197.35
    morpholine-4-carbaldehyde 288.62
    sulfolane 339.15
    2,2,4-trimethylpentane 2.1
    2-methyltetrahydrofuran 187.12
    n-hexyl acetate 85.52
    isooctane 2.11
    2-(2-butoxyethoxy)ethanol 174.64
    sec-butyl acetate 67.8
    tert-butyl acetate 112.7
    decalin 1.39
    glycerin 193.84
    diglyme 315.23
    acrylic acid 245.37
    isopropyl myristate 33.01
    n-butyric acid 223.29
    acetyl acetate 104.79
    di(2-ethylhexyl) phthalate 32.2
    ethyl propionate 89.12
    nitromethane 747.4
    1,2-diethoxyethane 109.84
    benzonitrile 44.52
    trioctyl phosphate 27.22
    1-bromopropane 12.23
    gamma-valerolactone 323.63
    n-decanol 33.43
    triethyl phosphate 32.81
    4-methyl-2-pentanol 60.04
    propionitrile 124.88
    vinylene carbonate 116.95
    1,1,2-trichlorotrifluoroethane 207.8
    DMS 79.36
    cumene 7.66
    2-octanol 32.22
    2-hexanone 104.68
    octyl acetate 45.59
    limonene 16.05
    1,2-dimethoxyethane 244.19
    ethyl orthosilicate 29.34
    tributyl phosphate 31.96
    diacetone alcohol 191.85
    N,N-dimethylaniline 34.57
    acrylonitrile 172.76
    aniline 27.83
    1,3-propanediol 271.9
    bromobenzene 6.7
    dibromomethane 11.13
    1,1,2,2-tetrachloroethane 54.92
    2-methyl-cyclohexyl acetate 49.73
    tetrabutyl urea 42.16
    diisobutyl methanol 28.08
    2-phenylethanol 52.81
    styrene 6.24
    dioctyl adipate 52.52
    dimethyl sulfate 149.06
    ethyl butyrate 58.75
    methyl lactate 121.16
    butyl lactate 56.7
    diethyl carbonate 43.82
    propanediol butyl ether 127.64
    triethyl orthoformate 42.08
    p-tert-butyltoluene 11.54
    methyl 4-tert-butylbenzoate 72.06
    morpholine 287.08
    tert-butylamine 74.3
    n-dodecanol 24.39
    dimethoxymethane 219.58
    ethylene carbonate 91.24
    cyrene 104.86
    2-ethoxyethyl acetate 105.88
    2-ethylhexyl acetate 44.46
    1,2,4-trichlorobenzene 26.07
    4-methylpyridine 50.71
    dibutyl ether 39.49
    2,6-dimethyl-4-heptanol 28.08
    DEF 170.17
    dimethyl isosorbide 159.97
    tetrachloroethylene 31.13
    eugenol 78.16
    triacetin 106.43
    span 80 83.27
    1,4-butanediol 96.54
    1,1-dichloroethane 33.06
    2-methyl-1-pentanol 78.11
    methyl formate 254.26
    2-methyl-1-butanol 109.27
    n-decane 2.89
    butyronitrile 99.51
    3,7-dimethyl-1-octanol 44.71
    1-chlorooctane 16.0
    1-chlorotetradecane 6.85
    n-nonane 2.33
    undecane 2.35
    tert-butylcyclohexane 2.12
    cyclooctane 0.46
    cyclopentanol 109.52
    tetrahydropyran 123.91
    tert-amyl methyl ether 62.94
    2,5,8-trioxanonane 198.56
    1-hexene 6.94
    2-isopropoxyethanol 145.47
    2,2,2-trifluoroethanol 167.59
    methyl butyrate 111.4

    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

Botanical

Name CAS Botanical Proportion
Vanilla 1 8024-06-4 Vanilla fragrans Ames (V. planifolia Andrews), fam. Orchidaceae 8.5%
Vanilla 2 8024-06-4 Vanilla fragrans Ames (V. planifolia Andrews), fam. Orchidaceae 6.0%