4-Allylbenzene-1,2-diol

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  • Identifiers

    CAS number
    1126-61-0

    Molecular formula
    C9H10O2

    SMILES
    C=CCC1=CC(=C(C=C1)O)O

  • Odor profile

    Fragrance
    Phenolic 73.7%
    Spicy 68.35%
    Smoky 55.4%
    Burnt 45.18%
    Medicinal 44.12%
    Woody 36.21%
    Meaty 31.67%
    Clove 30.56%
    Savory 25.7%
    Odorless 25.05%

     

    Flavor
    Sweet 57.17%
    Phenolic 56.72%
    Spicy 48.88%
    Woody 38.82%
    Medicinal 38.71%
    Clove 36.94%
    Mild 34.88%
    Spice 33.88%
    Bitter 31.65%
    Smoky 28.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    10.34 (weak base)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    284°C

    Flash point

    • 136.18 ˚C est.

  • Synonyms

    • 1126-61-0
    • 4-Allylpyrocatechol
    • Hydroxychavicol
    • 4-allylbenzene-1,2-diol
    • 4-allylcatechol
    • 2-Hydroxychavicol
    • 3,4-dihydroxy-allylbenzene
    • 4-prop-2-enylbenzene-1,2-diol
    • 1,2-Benzenediol, 4-(2-propenyl)-
    • 4-(prop-2-en-1-yl)benzene-1,2-diol
    • MFCD01548379
    • FG58C4J9BR
    • 4-(2-propenyl)-1,2-benzenediol
    • Hydroxychavicol; 4-Allylpyrocatechol
    • CCRIS 1524
    • 4-allylbenzene-1,2-d
    • Hydroxy chavicol
    • 4-Allylpyrocatechol?
    • P-ALLYLCATECHOL
    • EUGENOL_met014
    • 4-Allyl-1,2-benzenediol
    • UNII-FG58C4J9BR
    • HYDROXYCHAVICOL, 2-
    • SCHEMBL43300
    • 1,2-Dihydroxy-4-allylbenzene
    • 4-Allyl-1,2-dihydroxybenzene
    • CHEMBL111134
    • DTXSID20150112
    • BCP29736
    • HY-N1887
    • BBL029399
    • BDBM50267733
    • STK046904
    • AKOS005384863
    • CS-7492
    • FA11964
    • 4-Allylpyrocatechol, analytical standard
    • AS-58835
    • DA-60323
    • SY053072
    • A2947
    • NS00115963
    • A11902
    • 4-Allylcatechol; 2-Hydroxychavicol pound>>Hydroxychavicol

  • Applications

    4-Allylbenzene-1,2-diol (CAS 1126-61-0) is primarily used as an intermediate in organic synthesis and as a functional unit in polymer systems, enabled by the allyl group that permits polymerization and network formation. In coatings and adhesives, it can serve as a monomer or additive that enhances adhesion to metal and oxide surfaces via the catechol moiety, with potential for crosslinking under UV or thermal treatment. Due to the catechol functionality, it is also considered as a precursor for oxidation stabilizers and metal chelation approaches in resin and paint formulations, contributing to formulation stability and durability. In specialized applications, it may be evaluated as a starting point for tailored derivatives in materials chemistry and electrochemistry, subject to regulatory and safety limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 989.1
    methanol 1123.99
    isopropanol 730.29
    water 1.11
    ethyl acetate 797.15
    n-propanol 692.87
    acetone 1004.25
    n-butanol 497.97
    acetonitrile 359.25
    DMF 699.74
    toluene 48.34
    isobutanol 391.33
    1,4-dioxane 477.67
    methyl acetate 581.83
    THF 1174.08
    2-butanone 688.22
    n-pentanol 259.14
    sec-butanol 536.31
    n-hexane 5.68
    ethylene glycol 185.13
    NMP 413.4
    cyclohexane 6.28
    DMSO 1322.85
    n-butyl acetate 323.76
    n-octanol 98.12
    chloroform 43.3
    n-propyl acetate 287.72
    acetic acid 418.98
    dichloromethane 60.97
    cyclohexanone 367.94
    propylene glycol 222.72
    isopropyl acetate 286.57
    DMAc 486.52
    2-ethoxyethanol 477.36
    isopentanol 376.32
    n-heptane 9.68
    ethyl formate 275.28
    1,2-dichloroethane 118.22
    n-hexanol 320.28
    2-methoxyethanol 887.47
    isobutyl acetate 122.9
    tetrachloromethane 15.65
    n-pentyl acetate 121.85
    transcutol 1178.74
    n-heptanol 113.3
    ethylbenzene 36.32
    MIBK 275.37
    2-propoxyethanol 471.74
    tert-butanol 835.97
    MTBE 513.59
    2-butoxyethanol 218.58
    propionic acid 423.36
    o-xylene 45.63
    formic acid 222.04
    diethyl ether 420.76
    m-xylene 59.53
    p-xylene 36.71
    chlorobenzene 55.55
    dimethyl carbonate 157.19
    n-octane 4.1
    formamide 579.47
    cyclopentanone 709.1
    2-pentanone 679.15
    anisole 140.7
    cyclopentyl methyl ether 371.15
    gamma-butyrolactone 798.26
    1-methoxy-2-propanol 606.27
    pyridine 204.54
    3-pentanone 319.09
    furfural 351.13
    n-dodecane 4.03
    diethylene glycol 342.16
    diisopropyl ether 100.3
    tert-amyl alcohol 596.95
    acetylacetone 435.98
    n-hexadecane 4.53
    acetophenone 132.28
    methyl propionate 544.13
    isopentyl acetate 236.21
    trichloroethylene 187.47
    n-nonanol 81.19
    cyclohexanol 190.17
    benzyl alcohol 128.46
    2-ethylhexanol 139.92
    isooctanol 89.51
    dipropyl ether 151.67
    1,2-dichlorobenzene 53.74
    ethyl lactate 110.99
    propylene carbonate 288.68
    n-methylformamide 651.43
    2-pentanol 383.03
    n-pentane 8.19
    1-propoxy-2-propanol 324.28
    1-methoxy-2-propyl acetate 270.7
    2-(2-methoxypropoxy) propanol 175.11
    mesitylene 36.61
    ε-caprolactone 327.62
    p-cymene 33.0
    epichlorohydrin 692.48
    1,1,1-trichloroethane 77.63
    2-aminoethanol 375.05
    morpholine-4-carbaldehyde 386.55
    sulfolane 661.58
    2,2,4-trimethylpentane 11.19
    2-methyltetrahydrofuran 763.33
    n-hexyl acetate 174.66
    isooctane 11.56
    2-(2-butoxyethoxy)ethanol 296.26
    sec-butyl acetate 163.21
    tert-butyl acetate 291.46
    decalin 7.16
    glycerin 270.92
    diglyme 466.93
    acrylic acid 266.72
    isopropyl myristate 58.45
    n-butyric acid 459.92
    acetyl acetate 186.58
    di(2-ethylhexyl) phthalate 50.41
    ethyl propionate 216.03
    nitromethane 854.34
    1,2-diethoxyethane 286.65
    benzonitrile 101.06
    trioctyl phosphate 44.96
    1-bromopropane 51.73
    gamma-valerolactone 564.74
    n-decanol 61.34
    triethyl phosphate 58.93
    4-methyl-2-pentanol 173.01
    propionitrile 239.33
    vinylene carbonate 176.55
    1,1,2-trichlorotrifluoroethane 294.77
    DMS 122.26
    cumene 29.15
    2-octanol 71.68
    2-hexanone 260.75
    octyl acetate 75.31
    limonene 54.59
    1,2-dimethoxyethane 513.42
    ethyl orthosilicate 57.77
    tributyl phosphate 54.73
    diacetone alcohol 424.73
    N,N-dimethylaniline 79.31
    acrylonitrile 293.99
    aniline 123.37
    1,3-propanediol 490.64
    bromobenzene 38.79
    dibromomethane 38.49
    1,1,2,2-tetrachloroethane 142.43
    2-methyl-cyclohexyl acetate 99.81
    tetrabutyl urea 71.03
    diisobutyl methanol 84.81
    2-phenylethanol 140.49
    styrene 37.06
    dioctyl adipate 79.86
    dimethyl sulfate 219.47
    ethyl butyrate 183.9
    methyl lactate 189.31
    butyl lactate 106.6
    diethyl carbonate 91.15
    propanediol butyl ether 214.23
    triethyl orthoformate 89.11
    p-tert-butyltoluene 34.72
    methyl 4-tert-butylbenzoate 112.59
    morpholine 689.92
    tert-butylamine 337.43
    n-dodecanol 45.53
    dimethoxymethane 580.45
    ethylene carbonate 156.31
    cyrene 144.76
    2-ethoxyethyl acetate 204.59
    2-ethylhexyl acetate 152.9
    1,2,4-trichlorobenzene 70.34
    4-methylpyridine 195.12
    dibutyl ether 93.54
    2,6-dimethyl-4-heptanol 84.81
    DEF 430.8
    dimethyl isosorbide 258.56
    tetrachloroethylene 100.46
    eugenol 112.7
    triacetin 145.38
    span 80 128.02
    1,4-butanediol 163.02
    1,1-dichloroethane 85.85
    2-methyl-1-pentanol 201.97
    methyl formate 442.32
    2-methyl-1-butanol 331.88
    n-decane 6.45
    butyronitrile 235.88
    3,7-dimethyl-1-octanol 107.87
    1-chlorooctane 36.52
    1-chlorotetradecane 12.95
    n-nonane 5.9
    undecane 5.07
    tert-butylcyclohexane 9.64
    cyclooctane 4.07
    cyclopentanol 302.14
    tetrahydropyran 424.64
    tert-amyl methyl ether 333.31
    2,5,8-trioxanonane 280.5
    1-hexene 36.9
    2-isopropoxyethanol 310.93
    2,2,2-trifluoroethanol 117.56
    methyl butyrate 276.03

    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