3-Propylcatechol

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  • Identifiers

    CAS number
    2896-63-1

    Molecular formula
    C9H12O2

    SMILES
    CCCC1=C(C(=CC=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 85.9%
    Smoky 66.0%
    Spicy 62.44%
    Medicinal 53.98%
    Burnt 53.43%
    Woody 38.82%
    Balsamic 32.82%
    Vanilla 32.65%
    Leathery 31.99%
    Sweet 28.61%

     

    Flavor
    Phenolic 79.33%
    Medicinal 60.66%
    Spicy 48.7%
    Smoky 48.03%
    Phenol 44.62%
    Smoke 42.1%
    Sweet 41.84%
    Clove 39.49%
    Bacon 38.98%
    Spice 38.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    10.72 (weak base)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 135.65 ˚C est.

  • Synonyms

    • 3-propylbenzene-1,2-diol
    • 2896-63-1
    • 3-Propylcatechol
    • 1,2-Benzenediol, 3-propyl-
    • 3-propylpyrocatechol
    • G1595578WG
    • CHEBI:147332
    • DTXSID00183165
    • RefChem:95381
    • DTXCID10105656
    • MFCD00873219
    • 3-n-propylcatechol
    • UNII-G1595578WG
    • 3-propyl-1,2-benzenediol
    • SCHEMBL68921
    • SCHEMBL20534909
    • SCHEMBL27511953
    • 3-propyl-1,2-dihydroxy benzene
    • GOZVFLWHGAXTPA-UHFFFAOYSA-N
    • AKOS002760969
    • AS-77174
    • DB-339499
    • CS-0152426
    • D82476
    • EN300-1599523
    • Q27278557
    • 2896-63-1

  • Applications

    3-Propylcatechol (CAS 2896-63-1) is primarily used as an organic synthesis intermediate, serving as a building block for dyes and pigments and as a precursor for fragrance ingredients; in plastics, coatings and adhesives it may act as an antioxidant and stabilizer for polymers and formulations; in cosmetics and personal care it may be evaluated as a chemical intermediate for fragrance-related ingredients; it is also explored as a potential chelating agent or for tuning properties of polymer and coating formulations; additionally, it can function as a reagent in research and development for synthesizing phenol derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1593.41
    methanol 1759.04
    isopropanol 1057.46
    water 1.6
    ethyl acetate 664.72
    n-propanol 977.07
    acetone 1413.45
    n-butanol 648.71
    acetonitrile 959.47
    DMF 2097.44
    toluene 111.93
    isobutanol 550.01
    1,4-dioxane 986.06
    methyl acetate 830.89
    THF 1501.82
    2-butanone 829.28
    n-pentanol 377.52
    sec-butanol 643.38
    n-hexane 19.08
    ethylene glycol 308.91
    NMP 716.42
    cyclohexane 31.06
    DMSO 2472.39
    n-butyl acetate 567.67
    n-octanol 232.79
    chloroform 746.2
    n-propyl acetate 396.7
    acetic acid 693.52
    dichloromethane 1141.13
    cyclohexanone 676.39
    propylene glycol 290.98
    isopropyl acetate 307.16
    DMAc 805.9
    2-ethoxyethanol 612.9
    isopentanol 379.97
    n-heptane 36.11
    ethyl formate 671.81
    1,2-dichloroethane 895.95
    n-hexanol 527.64
    2-methoxyethanol 1173.79
    isobutyl acetate 208.78
    tetrachloromethane 97.43
    n-pentyl acetate 273.72
    transcutol 1005.62
    n-heptanol 253.28
    ethylbenzene 87.46
    MIBK 280.61
    2-propoxyethanol 737.26
    tert-butanol 945.75
    MTBE 596.86
    2-butoxyethanol 403.24
    propionic acid 561.25
    o-xylene 93.52
    formic acid 295.76
    diethyl ether 583.43
    m-xylene 108.34
    p-xylene 99.24
    chlorobenzene 247.53
    dimethyl carbonate 218.65
    n-octane 22.85
    formamide 749.21
    cyclopentanone 987.3
    2-pentanone 579.85
    anisole 241.78
    cyclopentyl methyl ether 351.02
    gamma-butyrolactone 1217.34
    1-methoxy-2-propanol 733.95
    pyridine 602.4
    3-pentanone 327.49
    furfural 730.26
    n-dodecane 21.9
    diethylene glycol 531.04
    diisopropyl ether 123.13
    tert-amyl alcohol 583.36
    acetylacetone 593.32
    n-hexadecane 24.12
    acetophenone 229.8
    methyl propionate 514.98
    isopentyl acetate 412.16
    trichloroethylene 1263.96
    n-nonanol 190.68
    cyclohexanol 273.45
    benzyl alcohol 209.2
    2-ethylhexanol 245.1
    isooctanol 188.22
    dipropyl ether 275.84
    1,2-dichlorobenzene 210.01
    ethyl lactate 170.54
    propylene carbonate 540.42
    n-methylformamide 1272.66
    2-pentanol 338.96
    n-pentane 25.17
    1-propoxy-2-propanol 522.89
    1-methoxy-2-propyl acetate 373.29
    2-(2-methoxypropoxy) propanol 255.56
    mesitylene 78.27
    ε-caprolactone 506.48
    p-cymene 92.17
    epichlorohydrin 1318.56
    1,1,1-trichloroethane 446.52
    2-aminoethanol 560.33
    morpholine-4-carbaldehyde 683.61
    sulfolane 1112.01
    2,2,4-trimethylpentane 20.65
    2-methyltetrahydrofuran 737.94
    n-hexyl acetate 342.75
    isooctane 22.12
    2-(2-butoxyethoxy)ethanol 413.12
    sec-butyl acetate 190.8
    tert-butyl acetate 313.59
    decalin 22.22
    glycerin 307.67
    diglyme 778.92
    acrylic acid 412.1
    isopropyl myristate 128.6
    n-butyric acid 666.08
    acetyl acetate 262.18
    di(2-ethylhexyl) phthalate 104.82
    ethyl propionate 263.81
    nitromethane 1464.35
    1,2-diethoxyethane 461.79
    benzonitrile 308.18
    trioctyl phosphate 104.36
    1-bromopropane 369.32
    gamma-valerolactone 967.16
    n-decanol 148.71
    triethyl phosphate 105.58
    4-methyl-2-pentanol 160.17
    propionitrile 636.62
    vinylene carbonate 469.13
    1,1,2-trichlorotrifluoroethane 517.9
    DMS 200.49
    cumene 70.15
    2-octanol 165.98
    2-hexanone 339.09
    octyl acetate 182.95
    limonene 133.28
    1,2-dimethoxyethane 932.67
    ethyl orthosilicate 100.26
    tributyl phosphate 108.18
    diacetone alcohol 398.64
    N,N-dimethylaniline 141.7
    acrylonitrile 800.68
    aniline 204.1
    1,3-propanediol 719.07
    bromobenzene 240.04
    dibromomethane 678.84
    1,1,2,2-tetrachloroethane 745.92
    2-methyl-cyclohexyl acetate 173.45
    tetrabutyl urea 145.45
    diisobutyl methanol 139.74
    2-phenylethanol 261.66
    styrene 110.61
    dioctyl adipate 161.42
    dimethyl sulfate 304.38
    ethyl butyrate 301.85
    methyl lactate 219.35
    butyl lactate 196.09
    diethyl carbonate 182.89
    propanediol butyl ether 321.15
    triethyl orthoformate 166.13
    p-tert-butyltoluene 88.88
    methyl 4-tert-butylbenzoate 212.19
    morpholine 1083.7
    tert-butylamine 453.77
    n-dodecanol 115.72
    dimethoxymethane 873.53
    ethylene carbonate 387.91
    cyrene 208.54
    2-ethoxyethyl acetate 336.06
    2-ethylhexyl acetate 266.39
    1,2,4-trichlorobenzene 213.31
    4-methylpyridine 432.39
    dibutyl ether 207.98
    2,6-dimethyl-4-heptanol 139.74
    DEF 580.3
    dimethyl isosorbide 381.35
    tetrachloroethylene 472.74
    eugenol 222.55
    triacetin 229.89
    span 80 220.47
    1,4-butanediol 262.34
    1,1-dichloroethane 713.42
    2-methyl-1-pentanol 246.57
    methyl formate 907.55
    2-methyl-1-butanol 365.96
    n-decane 33.3
    butyronitrile 562.82
    3,7-dimethyl-1-octanol 183.51
    1-chlorooctane 136.79
    1-chlorotetradecane 56.94
    n-nonane 31.98
    undecane 26.8
    tert-butylcyclohexane 24.57
    cyclooctane 14.04
    cyclopentanol 395.69
    tetrahydropyran 733.06
    tert-amyl methyl ether 312.18
    2,5,8-trioxanonane 470.41
    1-hexene 98.52
    2-isopropoxyethanol 367.37
    2,2,2-trifluoroethanol 200.67
    methyl butyrate 401.54

    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