4-Propylphenol

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  • Identifiers

    CAS number
    645-56-7

    Molecular formula
    C9H12O

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

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Phenolic 83.94%
    Medicinal 58.39%
    Smoky 57.32%
    Spicy 52.02%
    Leathery 49.38%
    Animal 47.69%
    Woody 38.84%
    Burnt 35.86%
    Musty 32.35%
    Herbal 29.6%

     

    Flavor
    Phenolic 80.72%
    Medicinal 68.11%
    Phenol 49.64%
    Smoke 37.4%
    Smoky 35.4%
    Spice 34.88%
    Plastic 32.59%
    Guaiacol 31.72%
    Spicy 28.94%
    Leather 27.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.89 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 21 - 22 °C

    Boiling point

    • 232.00 to 233.00 °C. @ 760.00 mm Hg

    Flash point

    • 100.53 ˚C est.

    Solubility expt.

    • 1.28 mg/mL at 25 °C
    • insoluble in water; soluble in fat
    • miscible (in ethanol)

  • Synonyms

    • 4-PROPYLPHENOL
    • 645-56-7
    • 4-n-Propylphenol
    • p-Propylphenol
    • Dihydrochavicol
    • Phenol, 4-propyl-
    • Phenol, p-propyl-
    • 1-Hydroxy-4-n-propylbenzene
    • 4-Propyl-phenol
    • p-n-Propylphenol
    • p-Hydroxypropylbenzene
    • FEMA No. 3649
    • Hydroxypropylbenzene, p-
    • MFCD00002395
    • NSC 65647
    • p-propyl-phenol
    • EINECS 211-446-2
    • UNII-H27VG833JY
    • BRN 1363429
    • H27VG833JY
    • Phenol, p-propyl-,
    • DTXSID9022100
    • PROPYLPHENOL, P-
    • NSC-65647
    • 1-Hydroxy-4-propylbenzene
    • DTXCID402100
    • CHEBI:34434
    • FEMA 3649
    • 4-06-00-03181 (Beilstein Handbook Reference)
    • 4-propylphenol, potassium
    • pPropylphenol
    • 4nPropylphenol
    • Phenol, ppropyl
    • Phenol, 4propyl
    • p-hydroxyphenylpropane
    • 1Hydroxy4npropylbenzene
    • Hydroxypropylbenzene, p
    • 4-Propylphenol, 99%
    • 1(4Hydroxyphenyl)propane
    • 1-(4-Hydroxyphenyl)propane
    • SCHEMBL52058
    • BIDD:ER0185
    • CHEMBL35297
    • SCHEMBL1375534
    • 4-Propylphenol, >=97%, FG
    • NSC65647
    • Tox21_302642
    • AKOS009159302
    • CS-W018327
    • NCGC00256748-01
    • CAS-645-56-7
    • SY036793
    • TS-01760
    • NS00022621
    • P0698
    • EN300-64291
    • F16572
    • Q27116062
    • Z384970614

  • Applications

    4-Propylphenol (CAS 645-56-7) is primarily used as an intermediate in organic synthesis, particularly as a fragrance precursor in perfumery and fragrance formulations for cosmetics and household products; it is also a feedstock for alkylated phenol-formaldehyde resins used in coatings, adhesives, and inks. It can function as a solvent or processing aid in certain manufacturing formulations and serves as a precursor for dye/pigment-related intermediates and polymer modifiers to improve the properties of coatings and binders, with use subject to safety regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5782.97
    methanol 6338.41
    isopropanol 3670.18
    water 0.8
    ethyl acetate 5443.92
    n-propanol 4760.96
    acetone 10536.48
    n-butanol 3431.47
    acetonitrile 5187.14
    DMF 6537.03
    toluene 922.12
    isobutanol 2852.48
    1,4-dioxane 4466.11
    methyl acetate 5043.23
    THF 7023.0
    2-butanone 6614.73
    n-pentanol 2080.12
    sec-butanol 2936.12
    n-hexane 331.97
    ethylene glycol 840.96
    NMP 3482.64
    cyclohexane 184.86
    DMSO 11568.1
    n-butyl acetate 3004.37
    n-octanol 571.67
    chloroform 2907.63
    n-propyl acetate 2565.47
    acetic acid 2185.73
    dichloromethane 3626.22
    cyclohexanone 4012.39
    propylene glycol 1127.52
    isopropyl acetate 2074.87
    DMAc 2621.26
    2-ethoxyethanol 2671.52
    isopentanol 2333.02
    n-heptane 109.98
    ethyl formate 2427.5
    1,2-dichloroethane 3800.23
    n-hexanol 2207.09
    2-methoxyethanol 4899.22
    isobutyl acetate 1105.31
    tetrachloromethane 591.7
    n-pentyl acetate 922.82
    transcutol 8225.2
    n-heptanol 567.15
    ethylbenzene 452.03
    MIBK 1828.11
    2-propoxyethanol 3394.64
    tert-butanol 3437.47
    MTBE 4006.66
    2-butoxyethanol 1146.08
    propionic acid 2981.81
    o-xylene 429.17
    formic acid 771.87
    diethyl ether 4789.05
    m-xylene 577.37
    p-xylene 479.39
    chlorobenzene 1323.85
    dimethyl carbonate 1331.22
    n-octane 38.52
    formamide 2112.72
    cyclopentanone 6427.56
    2-pentanone 5176.7
    anisole 1414.83
    cyclopentyl methyl ether 3389.25
    gamma-butyrolactone 5995.13
    1-methoxy-2-propanol 3253.33
    pyridine 2989.9
    3-pentanone 3118.55
    furfural 2800.97
    n-dodecane 23.91
    diethylene glycol 1780.09
    diisopropyl ether 931.93
    tert-amyl alcohol 2577.92
    acetylacetone 3464.46
    n-hexadecane 28.64
    acetophenone 924.06
    methyl propionate 4266.83
    isopentyl acetate 1979.76
    trichloroethylene 5161.69
    n-nonanol 435.88
    cyclohexanol 1558.1
    benzyl alcohol 892.42
    2-ethylhexanol 903.54
    isooctanol 411.97
    dipropyl ether 1456.71
    1,2-dichlorobenzene 905.6
    ethyl lactate 552.12
    propylene carbonate 2083.27
    n-methylformamide 5458.92
    2-pentanol 2015.49
    n-pentane 213.73
    1-propoxy-2-propanol 2112.69
    1-methoxy-2-propyl acetate 2006.39
    2-(2-methoxypropoxy) propanol 813.11
    mesitylene 315.98
    ε-caprolactone 2961.98
    p-cymene 213.66
    epichlorohydrin 6518.84
    1,1,1-trichloroethane 2739.12
    2-aminoethanol 2004.4
    morpholine-4-carbaldehyde 2944.91
    sulfolane 5883.88
    2,2,4-trimethylpentane 113.59
    2-methyltetrahydrofuran 5763.98
    n-hexyl acetate 1375.96
    isooctane 104.79
    2-(2-butoxyethoxy)ethanol 1568.92
    sec-butyl acetate 1221.61
    tert-butyl acetate 2009.26
    decalin 120.26
    glycerin 1008.02
    diglyme 2666.0
    acrylic acid 1907.74
    isopropyl myristate 325.8
    n-butyric acid 3335.62
    acetyl acetate 1342.89
    di(2-ethylhexyl) phthalate 257.23
    ethyl propionate 2075.17
    nitromethane 6377.88
    1,2-diethoxyethane 2750.13
    benzonitrile 1203.89
    trioctyl phosphate 225.57
    1-bromopropane 2028.89
    gamma-valerolactone 5090.62
    n-decanol 310.63
    triethyl phosphate 307.19
    4-methyl-2-pentanol 793.79
    propionitrile 3395.02
    vinylene carbonate 1535.87
    1,1,2-trichlorotrifluoroethane 2345.57
    DMS 995.57
    cumene 263.68
    2-octanol 364.58
    2-hexanone 2821.75
    octyl acetate 450.55
    limonene 396.71
    1,2-dimethoxyethane 3897.73
    ethyl orthosilicate 334.2
    tributyl phosphate 327.05
    diacetone alcohol 2096.43
    N,N-dimethylaniline 596.06
    acrylonitrile 3479.47
    aniline 1489.03
    1,3-propanediol 2399.7
    bromobenzene 1245.69
    dibromomethane 2378.28
    1,1,2,2-tetrachloroethane 3408.75
    2-methyl-cyclohexyl acetate 629.89
    tetrabutyl urea 382.61
    diisobutyl methanol 419.36
    2-phenylethanol 996.85
    styrene 672.33
    dioctyl adipate 422.18
    dimethyl sulfate 1618.07
    ethyl butyrate 1350.86
    methyl lactate 1005.76
    butyl lactate 682.74
    diethyl carbonate 676.98
    propanediol butyl ether 1175.88
    triethyl orthoformate 629.79
    p-tert-butyltoluene 223.81
    methyl 4-tert-butylbenzoate 532.59
    morpholine 5983.69
    tert-butylamine 1999.01
    n-dodecanol 215.62
    dimethoxymethane 4591.24
    ethylene carbonate 1414.2
    cyrene 614.49
    2-ethoxyethyl acetate 1462.73
    2-ethylhexyl acetate 1391.37
    1,2,4-trichlorobenzene 1038.71
    4-methylpyridine 2858.24
    dibutyl ether 983.77
    2,6-dimethyl-4-heptanol 419.36
    DEF 3777.35
    dimethyl isosorbide 1241.46
    tetrachloroethylene 2134.63
    eugenol 576.37
    triacetin 745.34
    span 80 648.7
    1,4-butanediol 829.88
    1,1-dichloroethane 3543.69
    2-methyl-1-pentanol 1442.3
    methyl formate 3174.51
    2-methyl-1-butanol 2396.08
    n-decane 48.54
    butyronitrile 3073.53
    3,7-dimethyl-1-octanol 617.62
    1-chlorooctane 348.12
    1-chlorotetradecane 99.3
    n-nonane 52.48
    undecane 33.21
    tert-butylcyclohexane 141.37
    cyclooctane 70.31
    cyclopentanol 2133.64
    tetrahydropyran 5031.05
    tert-amyl methyl ether 2071.15
    2,5,8-trioxanonane 1290.4
    1-hexene 1363.9
    2-isopropoxyethanol 1641.8
    2,2,2-trifluoroethanol 543.25
    methyl butyrate 2650.32

    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