Catechol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    120-80-9

    Molecular formula
    C6H6O2

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Phenolic 87.73%
    Burnt 60.05%
    Smoky 58.28%
    Medicinal 57.8%
    Spicy 38.87%
    Vanilla 32.93%
    Odorless 29.84%
    Balsamic 27.39%
    Meaty 27.27%
    Woody 26.39%

     

    Flavor
    Phenolic 78.2%
    Medicinal 51.19%
    Phenol 45.3%
    Bitter 42.4%
    Smoke 41.12%
    Sweet 40.73%
    Medical 40.11%
    Smoky 35.45%
    Medicine 31.62%
    Mild 29.59%

     

    Odor impact est.
    Low

    Odor threshold

    • detection: 8.0 mg/L

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    10.48 (weak base)

    Molecular weight
    110.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 221 °F (NTP, 1992)
    • 105 °C
    • 221 °F

    Boiling point

    • 473 °F at 760 mmHg (sublimes) (NTP, 1992)
    • 245 °C
    • 245.5 °C at 760 mm Hg; sublimes
    • BP: 221.5 °C at 400 mm Hg; 197.7 °C at 200 mm Hg; 176 °C at 100 mm Hg; 161.7 °C at 60 mm Hg; 134 °C at 20 mm Hg; 118.3 °C at 10 mm Hg; 104 °C at 5 mm Hg ... Volatile with steam
    • 245.5 °C
    • 474 °F

    Flash point

    • 111.34 ˚C est.
    • 261 °F (NTP, 1992)
    • 127 °C
    • 260 °F (127 °C) (Closed cup)
    • 127.2 °C (open cup)
    • 127 °C (261 °F) (Closed cup)
    • 127 °C c.c.
    • 261 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 70.7 °F (NTP, 1992)
    • 461000 mg/L (at 25 °C)
    • In water, 4.61X10+5 mg/L at 25 °C
    • Soluble in chloroform, ether; very soluble in pyridine, aqueous alkalis
    • Very soluble in alcohol, ethyl ether, acetate
    • 461.0 mg/mL
    • Solubility in water, g/100ml at 20 °C: 43
    • 44%

  • Synonyms

    • pyrocatechol
    • catechol
    • 120-80-9
    • 1,2-dihydroxybenzene
    • 1,2-benzenediol
    • benzene-1,2-diol
    • pyrocatechin
    • 2-hydroxyphenol
    • o-Benzenediol
    • o-Dihydroxybenzene
    • o-Dioxybenzene
    • o-Hydroquinone
    • o-Hydroxyphenol
    • Phthalhydroquinone
    • Pyrocatechine
    • o-Phenylenediol
    • Oxyphenic acid
    • Fouramine PCH
    • benzenediol
    • Durafur developer C
    • Pelagol Grey C
    • Catechin (phenol)
    • Fourrine 68
    • Benzene, o-dihydroxy-
    • Catechol (phenol)
    • o-Diphenol
    • C.I. Oxidation Base 26
    • Pyrokatechin
    • Pyrokatechol
    • Katechol
    • ortho-Dihydroxybenzene
    • NCI-C55856
    • NSC 1573
    • C.I. 76500
    • MFCD00002188
    • Catechol-pyrocatechol
    • 12385-08-9
    • DTXSID3020257
    • LF3AJ089DQ
    • CHEMBL280998
    • CHEBI:18135
    • NSC-1573
    • ortho-Hydroxyphenol
    • CAQ
    • 1,?2-?Benzenediol
    • ortho-Benzenediol
    • ortho-Dioxybenzene
    • ortho-Hydroquinone
    • Katechol [Czech]
    • ortho-Phenylenediol
    • Pyrocatechinic acid
    • 1,2-Dihydroxybenzene-d6
    • 26982-53-6
    • DTXCID30257
    • Pyrokatechin [Czech]
    • Pyrokatechol [Czech]
    • Benzene-1,2-diol (Pyrocatechol)
    • CI Oxidation Base 26
    • Phthalic alcohol
    • CAS-120-80-9
    • SMR000326660
    • CCRIS 741
    • HSDB 1436
    • EINECS 204-427-5
    • UNII-LF3AJ089DQ
    • BRN 0471401
    • Oxyphenate
    • CI 76500
    • Kachin
    • ortho-diphenol
    • benzene diol
    • ortho-Quinol
    • AI3-03995
    • 4oow
    • alpha-hydroxyphenol
    • o-dihydroxy-benzene
    • 1,a2-aBenzenediol
    • phenol derivative, 2
    • 3fw4
    • 4k7i
    • CATECHOL [HSDB]
    • CATECHOL [IARC]
    • Pyrocatechol, >=99%
    • CATECHOL [VANDF]
    • Lopac-C-9510
    • PYROCATECHOL [MI]
    • WLN: QR BQ
    • bmse000385
    • EC 204-427-5
    • 1,2-Dihydroxybenzene, XI
    • 1,2-Benzenediol; Catechol
    • Lopac0_000280
    • SCHEMBL18351
    • MLS002153385
    • MLS002303022
    • BIDD:ER0327
    • Pyrocatechinic acidPyrocatechol
    • Pyrocatechol, p.a., 99.0%
    • BDBM26188
    • Durafur Developer CFouramine PCH
    • NSC1573
    • HMS2233A17
    • HMS3260H22
    • HMS3373K16
    • DEA96358
    • Tox21_202317
    • Tox21_300153
    • Tox21_500280
    • s6305
    • STK398651
    • AKOS000119002
    • CCG-204375
    • DB02232
    • FC19837
    • LP00280
    • SDCCGSBI-0050268.P002
    • NCGC00015283-01
    • NCGC00015283-02
    • NCGC00015283-03
    • NCGC00015283-04
    • NCGC00015283-05
    • NCGC00015283-06
    • NCGC00015283-07
    • NCGC00015283-08
    • NCGC00015283-10
    • NCGC00091262-01
    • NCGC00091262-02
    • NCGC00091262-03

  • Applications

    Catechol (CAS 120-80-9) is primarily used as an industrial chemical intermediate. It serves as a building block for the synthesis of dyes and pigments and as a precursor for phenolic resins and other polyphenolic polymers used in coatings and adhesives. It is also employed as an intermediate in pharmaceutical and agrochemical synthesis; as a mild reducing agent and antioxidant in organic synthesis; and as a ligand/chelating agent for metal complexation in catalysis and materials applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.83
    methanol 91.74
    isopropanol 33.6
    water 6.26
    ethyl acetate 21.9
    n-propanol 42.02
    acetone 20.67
    n-butanol 37.25
    acetonitrile 19.51
    DMF 66.59
    toluene 1.56
    isobutanol 24.56
    1,4-dioxane 47.77
    methyl acetate 27.57
    THF 92.56
    2-butanone 23.47
    n-pentanol 30.24
    sec-butanol 35.25
    n-hexane 2.14
    ethylene glycol 21.64
    NMP 51.27
    cyclohexane 1.4
    DMSO 111.12
    n-butyl acetate 21.18
    n-octanol 22.65
    chloroform 6.64
    n-propyl acetate 17.63
    acetic acid 53.18
    dichloromethane 6.44
    cyclohexanone 21.01
    propylene glycol 15.54
    isopropyl acetate 17.57
    DMAc 71.56
    2-ethoxyethanol 72.05
    isopentanol 34.87
    n-heptane 5.4
    ethyl formate 20.48
    1,2-dichloroethane 7.94
    n-hexanol 29.82
    2-methoxyethanol 88.58
    isobutyl acetate 8.6
    tetrachloromethane 3.69
    n-pentyl acetate 23.17
    transcutol 205.02
    n-heptanol 24.48
    ethylbenzene 2.22
    MIBK 22.71
    2-propoxyethanol 58.99
    tert-butanol 55.59
    MTBE 34.91
    2-butoxyethanol 51.71
    propionic acid 35.11
    o-xylene 3.31
    formic acid 63.47
    diethyl ether 30.31
    m-xylene 3.01
    p-xylene 2.69
    chlorobenzene 2.45
    dimethyl carbonate 11.04
    n-octane 2.63
    formamide 124.05
    cyclopentanone 36.71
    2-pentanone 21.78
    anisole 11.85
    cyclopentyl methyl ether 24.54
    gamma-butyrolactone 55.14
    1-methoxy-2-propanol 56.12
    pyridine 13.22
    3-pentanone 14.24
    furfural 43.11
    n-dodecane 1.97
    diethylene glycol 52.95
    diisopropyl ether 12.48
    tert-amyl alcohol 53.72
    acetylacetone 25.78
    n-hexadecane 2.07
    acetophenone 13.57
    methyl propionate 18.33
    isopentyl acetate 19.8
    trichloroethylene 12.07
    n-nonanol 20.99
    cyclohexanol 16.53
    benzyl alcohol 12.26
    2-ethylhexanol 19.73
    isooctanol 21.27
    dipropyl ether 24.42
    1,2-dichlorobenzene 3.97
    ethyl lactate 14.88
    propylene carbonate 25.57
    n-methylformamide 52.51
    2-pentanol 27.94
    n-pentane 2.63
    1-propoxy-2-propanol 46.88
    1-methoxy-2-propyl acetate 27.5
    2-(2-methoxypropoxy) propanol 48.27
    mesitylene 3.46
    ε-caprolactone 30.28
    p-cymene 6.0
    epichlorohydrin 42.91
    1,1,1-trichloroethane 6.23
    2-aminoethanol 41.47
    morpholine-4-carbaldehyde 64.33
    sulfolane 68.19
    2,2,4-trimethylpentane 2.88
    2-methyltetrahydrofuran 46.52
    n-hexyl acetate 27.26
    isooctane 2.77
    2-(2-butoxyethoxy)ethanol 73.96
    sec-butyl acetate 13.24
    tert-butyl acetate 29.53
    decalin 1.49
    glycerin 32.48
    diglyme 122.79
    acrylic acid 30.76
    isopropyl myristate 14.14
    n-butyric acid 37.24
    acetyl acetate 13.28
    di(2-ethylhexyl) phthalate 11.48
    ethyl propionate 14.12
    nitromethane 77.97
    1,2-diethoxyethane 54.22
    benzonitrile 8.28
    trioctyl phosphate 11.38
    1-bromopropane 5.46
    gamma-valerolactone 54.38
    n-decanol 16.1
    triethyl phosphate 12.5
    4-methyl-2-pentanol 21.83
    propionitrile 15.73
    vinylene carbonate 17.64
    1,1,2-trichlorotrifluoroethane 35.82
    DMS 16.37
    cumene 3.39
    2-octanol 17.0
    2-hexanone 18.58
    octyl acetate 16.88
    limonene 8.78
    1,2-dimethoxyethane 81.09
    ethyl orthosilicate 13.8
    tributyl phosphate 13.11
    diacetone alcohol 45.93
    N,N-dimethylaniline 11.86
    acrylonitrile 17.88
    aniline 6.72
    1,3-propanediol 52.38
    bromobenzene 1.47
    dibromomethane 4.3
    1,1,2,2-tetrachloroethane 11.21
    2-methyl-cyclohexyl acetate 15.87
    tetrabutyl urea 16.93
    diisobutyl methanol 18.75
    2-phenylethanol 15.74
    styrene 2.07
    dioctyl adipate 18.69
    dimethyl sulfate 20.89
    ethyl butyrate 20.16
    methyl lactate 19.95
    butyl lactate 22.02
    diethyl carbonate 13.57
    propanediol butyl ether 37.5
    triethyl orthoformate 18.08
    p-tert-butyltoluene 6.44
    methyl 4-tert-butylbenzoate 26.91
    morpholine 59.51
    tert-butylamine 31.01
    n-dodecanol 12.41
    dimethoxymethane 49.65
    ethylene carbonate 15.21
    cyrene 34.1
    2-ethoxyethyl acetate 35.06
    2-ethylhexyl acetate 14.54
    1,2,4-trichlorobenzene 5.26
    4-methylpyridine 9.77
    dibutyl ether 23.02
    2,6-dimethyl-4-heptanol 18.75
    DEF 33.74
    dimethyl isosorbide 66.82
    tetrachloroethylene 11.91
    eugenol 29.45
    triacetin 28.48
    span 80 34.06
    1,4-butanediol 24.66
    1,1-dichloroethane 4.78
    2-methyl-1-pentanol 27.54
    methyl formate 30.86
    2-methyl-1-butanol 30.04
    n-decane 3.23
    butyronitrile 16.21
    3,7-dimethyl-1-octanol 22.05
    1-chlorooctane 9.1
    1-chlorotetradecane 4.07
    n-nonane 3.01
    undecane 2.44
    tert-butylcyclohexane 2.18
    cyclooctane 1.07
    cyclopentanol 25.44
    tetrahydropyran 26.82
    tert-amyl methyl ether 31.19
    2,5,8-trioxanonane 89.4
    1-hexene 5.54
    2-isopropoxyethanol 46.42
    2,2,2-trifluoroethanol 30.28
    methyl butyrate 19.81

    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