Dopac

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  • Identifiers

    CAS number
    102-32-9

    Molecular formula
    C8H8O4

    SMILES
    C1=CC(=C(C=C1CC(=O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 64.78%
    Phenolic 52.02%
    Burnt 29.3%
    Balsamic 28.3%
    Vanilla 27.06%
    Smoky 23.82%
    Creamy 21.89%
    Milky 21.81%
    Savory 21.74%
    Sour 20.2%

     

    Flavor
    Odorless 53.33%
    Mild 52.19%
    Phenolic 48.96%
    Sour 38.02%
    Nutty 31.15%
    Faint 27.43%
    Sweet 25.83%
    Musty 25.0%
    Very mild 24.61%
    Creamy 23.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    8.18 (weak base)

    Molecular weight
    168.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    368°C

    Melting point expt.

    • 128.5 °C
    • 168 °C

    Flash point

    • 197.25 ˚C est.

    Solubility expt.

    • 4 mg/mL

  • Synonyms

    • 3,4-Dihydroxyphenylacetic acid
    • 102-32-9
    • Dopac
    • 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID
    • Homoprotocatechuic acid
    • Dopacetic acid
    • Benzeneacetic acid, 3,4-dihydroxy-
    • Acetic acid, (3,4-dihydroxyphenyl)-
    • BA 2773
    • KEX5N0R4N5
    • NSC-73191
    • DTXSID9074430
    • HMDB01336
    • 3,4 Dihydroxyphenylacetic Acid
    • RefChem:486240
    • DTXCID3032676
    • 203-024-1
    • 3,4-Dihydroxybenzeneacetic acid
    • Dihydroxyphenylacetic acid
    • (3,4-DIHYDROXYPHENYL)ACETIC ACID
    • MFCD00004338
    • 3,4-Dihydroxy-phenylacetic acid
    • Lopac-D-9128
    • 3,4-DHPOP
    • MLS001056737
    • 3,4-dihydroxyphenyl acetic acid
    • 4-Carboxymethylcatechol
    • SMR000326727
    • DHY
    • 3,4-Dihydroxyphenylacetate, XV
    • 3,4-DIHYDROXYPHENYLACETICACID
    • CCRIS 3765
    • EINECS 203-024-1
    • NSC 73191
    • 4-Carboxymethylpyrocatechol
    • UNII-KEX5N0R4N5
    • BRN 2211017
    • Dopacetate
    • AI3-52339
    • 3pcn
    • Dihydroxyphenylacetate
    • Dopamine Impurity 8
    • 1ai4
    • Catechol-4-acetic Acid
    • cid_547
    • bmse000329
    • Pyrocatechol-4-acetic Acid
    • 3,4-Dihydroxybenzeneacetate
    • CHEMBL1284
    • NCIOpen2_000518
    • Lopac0_000414
    • SCHEMBL36348
    • orb1302459
    • SCHEMBL7469913
    • Benzeneacetic acid,4-dihydroxy-
    • SCHEMBL14764387
    • SCHEMBL29382155
    • Acetic acid,4-dihydroxyphenyl)-
    • BDBM52946
    • CHEBI:41941
    • 3,4-dihydroxy-Benzeneacetic acid
    • 3,4-dihydroxyl phenylacetic acid
    • HMS2233I20
    • HMS3261C10
    • HMS3373A01
    • KUC106695N
    • KUC106697N
    • (3,4-dihydroxyphenyl)-Acetic acid
    • HY-W001080R
    • KCA69639
    • NSC73191
    • Tox21_500414
    • EBC-04071
    • s5639
    • SBB064931
    • 3,4-Dihydroxyphenylacetic acid, 98%
    • 3,4-DIHYDROXYPHENYLCAETIC ACID
    • AKOS015890264
    • MSK70004-100M
    • AC-5292
    • CCG-204506
    • CS-W001080
    • DB01702
    • FD32994
    • HY-W001080
    • LP00414
    • RS-1018
    • SDCCGSBI-0050399.P002
    • Acetic acid, (3,4-dihydroxyphenyl)-,
    • 3,4-DIHYDROXY BENZENEACETIC ACID
    • acetic acid, 2-(3,4-dihydroxyphenyl)-
    • NCGC00015381-01
    • NCGC00015381-02
    • NCGC00015381-03
    • NCGC00015381-04
    • NCGC00015381-05
    • NCGC00015381-06
    • NCGC00093838-01
    • NCGC00093838-02
    • NCGC00093838-03
    • NCGC00261099-01
    • HAA
    • KSC-11-207-5
    • KSC-11-207-8
    • SY015718
    • 2-[3,4-bis(oxidanyl)phenyl]ethanoic acid
    • 3,4-Dihydroxybenzeneacetic acid (Standard)
    • D1283
    • EU-0100414
    • NS00014707
    • ST45026883
    • C01161
    • D 9128
    • EN300-111909
    • F092681
    • SR-01000075841
    • 3,4-Dihydroxyphenylacetic acid, analytical standard
    • Q4634071
    • SR-01000075841-1
    • Z1255438427
    • 47115C80-8C82-419A-BC51-B10A2CB7FE8F
    • 3,4-Dihydroxyphenylacetic acid Solution in Methanol, 100ug/mL
    • InChI=1/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12
    • 102-32-9

  • Applications

    Dopac (CAS 102-32-9) serves as an intermediate in organic synthesis and as a building block for catechol-containing polymers and coatings, including polydopamine-inspired surface chemistries used in coatings and adhesives. In pharmaceutical research it may be used as an intermediate for synthesis of related compounds and as a reagent in biochemical assays and analytical methods for studying catecholamine metabolism. In polymers/plastics and industrial manufacturing it is often evaluated as a precursor for functional specialty chemicals and crosslinking or additive components. In analytical and biochemical research, it is used as a reference material or standard for chromatographic quantification of catecholamines. These uses are typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 150.97
    methanol 332.41
    isopropanol 89.5
    water 62.65
    ethyl acetate 10.76
    n-propanol 72.59
    acetone 45.09
    n-butanol 41.67
    acetonitrile 5.31
    DMF 134.4
    toluene 1.06
    isobutanol 33.13
    1,4-dioxane 14.88
    methyl acetate 11.06
    THF 86.31
    2-butanone 24.22
    n-pentanol 21.96
    sec-butanol 56.29
    n-hexane 0.94
    ethylene glycol 200.62
    NMP 189.54
    cyclohexane 0.33
    DMSO 449.11
    n-butyl acetate 9.09
    n-octanol 13.22
    chloroform 0.14
    n-propyl acetate 6.26
    acetic acid 38.64
    dichloromethane 0.26
    cyclohexanone 10.65
    propylene glycol 128.59
    isopropyl acetate 8.99
    DMAc 170.59
    2-ethoxyethanol 130.09
    isopentanol 34.72
    n-heptane 1.75
    ethyl formate 10.15
    1,2-dichloroethane 0.86
    n-hexanol 27.48
    2-methoxyethanol 252.59
    isobutyl acetate 1.34
    tetrachloromethane 0.63
    n-pentyl acetate 7.08
    transcutol 107.77
    n-heptanol 16.95
    ethylbenzene 1.3
    MIBK 17.12
    2-propoxyethanol 89.15
    tert-butanol 140.09
    MTBE 17.78
    2-butoxyethanol 40.72
    propionic acid 37.47
    o-xylene 2.3
    formic acid 157.8
    diethyl ether 14.04
    m-xylene 2.05
    p-xylene 1.01
    chlorobenzene 0.33
    dimethyl carbonate 13.8
    n-octane 0.52
    formamide 216.4
    cyclopentanone 32.13
    2-pentanone 25.13
    anisole 6.75
    cyclopentyl methyl ether 22.05
    gamma-butyrolactone 46.48
    1-methoxy-2-propanol 160.88
    pyridine 3.94
    3-pentanone 12.8
    furfural 30.83
    n-dodecane 0.32
    diethylene glycol 130.67
    diisopropyl ether 5.67
    tert-amyl alcohol 87.55
    acetylacetone 23.42
    n-hexadecane 0.33
    acetophenone 9.37
    methyl propionate 18.79
    isopentyl acetate 6.99
    trichloroethylene 0.79
    n-nonanol 11.52
    cyclohexanol 13.58
    benzyl alcohol 9.16
    2-ethylhexanol 11.26
    isooctanol 11.79
    dipropyl ether 11.3
    1,2-dichlorobenzene 0.68
    ethyl lactate 19.71
    propylene carbonate 14.19
    n-methylformamide 103.13
    2-pentanol 33.46
    n-pentane 1.14
    1-propoxy-2-propanol 56.12
    1-methoxy-2-propyl acetate 21.94
    2-(2-methoxypropoxy) propanol 44.21
    mesitylene 1.86
    ε-caprolactone 15.72
    p-cymene 2.77
    epichlorohydrin 20.15
    1,1,1-trichloroethane 0.62
    2-aminoethanol 214.75
    morpholine-4-carbaldehyde 87.97
    sulfolane 129.15
    2,2,4-trimethylpentane 0.85
    2-methyltetrahydrofuran 30.29
    n-hexyl acetate 10.54
    isooctane 0.69
    2-(2-butoxyethoxy)ethanol 54.02
    sec-butyl acetate 3.89
    tert-butyl acetate 17.06
    decalin 0.4
    glycerin 198.43
    diglyme 72.71
    acrylic acid 35.65
    isopropyl myristate 4.42
    n-butyric acid 21.02
    acetyl acetate 4.78
    di(2-ethylhexyl) phthalate 7.07
    ethyl propionate 9.41
    nitromethane 50.42
    1,2-diethoxyethane 11.85
    benzonitrile 2.17
    trioctyl phosphate 6.24
    1-bromopropane 0.71
    gamma-valerolactone 45.14
    n-decanol 8.19
    triethyl phosphate 7.22
    4-methyl-2-pentanol 17.73
    propionitrile 5.11
    vinylene carbonate 7.48
    1,1,2-trichlorotrifluoroethane 38.19
    DMS 7.99
    cumene 1.49
    2-octanol 9.45
    2-hexanone 9.42
    octyl acetate 6.76
    limonene 3.89
    1,2-dimethoxyethane 73.4
    ethyl orthosilicate 6.42
    tributyl phosphate 5.8
    diacetone alcohol 62.42
    N,N-dimethylaniline 8.7
    acrylonitrile 6.65
    aniline 3.86
    1,3-propanediol 146.2
    bromobenzene 0.2
    dibromomethane 0.21
    1,1,2,2-tetrachloroethane 1.06
    2-methyl-cyclohexyl acetate 7.32
    tetrabutyl urea 11.21
    diisobutyl methanol 8.4
    2-phenylethanol 12.09
    styrene 0.89
    dioctyl adipate 7.17
    dimethyl sulfate 38.62
    ethyl butyrate 8.63
    methyl lactate 43.56
    butyl lactate 15.31
    diethyl carbonate 5.47
    propanediol butyl ether 48.88
    triethyl orthoformate 7.67
    p-tert-butyltoluene 3.0
    methyl 4-tert-butylbenzoate 21.52
    morpholine 35.33
    tert-butylamine 36.96
    n-dodecanol 5.37
    dimethoxymethane 83.76
    ethylene carbonate 5.51
    cyrene 48.83
    2-ethoxyethyl acetate 11.9
    2-ethylhexyl acetate 4.77
    1,2,4-trichlorobenzene 1.01
    4-methylpyridine 4.38
    dibutyl ether 4.61
    2,6-dimethyl-4-heptanol 8.4
    DEF 35.63
    dimethyl isosorbide 53.2
    tetrachloroethylene 1.6
    eugenol 23.72
    triacetin 13.71
    span 80 26.91
    1,4-butanediol 62.06
    1,1-dichloroethane 0.4
    2-methyl-1-pentanol 16.77
    methyl formate 52.03
    2-methyl-1-butanol 33.97
    n-decane 0.58
    butyronitrile 4.58
    3,7-dimethyl-1-octanol 10.54
    1-chlorooctane 1.77
    1-chlorotetradecane 0.69
    n-nonane 0.56
    undecane 0.43
    tert-butylcyclohexane 0.51
    cyclooctane 0.34
    cyclopentanol 28.06
    tetrahydropyran 7.63
    tert-amyl methyl ether 20.43
    2,5,8-trioxanonane 57.87
    1-hexene 2.06
    2-isopropoxyethanol 56.28
    2,2,2-trifluoroethanol 27.59
    methyl butyrate 10.68

    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