2-Propylphenol

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  • Identifiers

    CAS number
    644-35-9

    Molecular formula
    C9H12O

    SMILES
    CCCC1=CC=CC=C1O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 88.38%
    Smoky 66.99%
    Spicy 66.28%
    Medicinal 65.68%
    Leathery 47.57%
    Burnt 42.47%
    Sweet 40.29%
    Woody 39.85%
    Animal 37.87%
    Musty 35.63%

     

    Flavor
    Phenolic 83.88%
    Medicinal 71.36%
    Phenol 49.94%
    Smoky 42.59%
    Smoke 39.55%
    Spicy 38.31%
    Spice 35.7%
    Guaiacol 31.47%
    Medicine 28.09%
    Leather 27.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.42 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 7 °C

    Boiling point

    • 224.00 to 226.00 °C. @ 760.00 mm Hg

    Flash point

    • 98.86 ˚C est.

    Solubility expt.

    • slightly soluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • 2-PROPYLPHENOL
    • 2-n-Propylphenol
    • 644-35-9
    • o-Propylphenol
    • Phenol, 2-propyl-
    • Phenol, o-propyl-
    • 1-Hydroxy-2-n-propylbenzene
    • 1-(2-Hydroxyphenyl)propane
    • o-n-Propylphenol
    • FEMA No. 3522
    • 1-Hydroxy-2-propylbenzene
    • propylphenol
    • 2-propyl-phenol
    • EINECS 211-415-3
    • NSC 65646
    • UNII-333R6F6T3N
    • BRN 1363932
    • DTXSID9047702
    • 333R6F6T3N
    • MFCD00002251
    • NSC-65646
    • O-PROPYLPHENOL [FHFI]
    • DTXCID7027700
    • CHEBI:147331
    • 4-06-00-03176 (Beilstein Handbook Reference)
    • 2-propyl phenol
    • n-propylphenol
    • o-propyl-phenol
    • 4i7m
    • 2-Propylphenol, 98%
    • NCIOpen2_000115
    • SCHEMBL51747
    • 2-PP
    • CHEMBL225569
    • SCHEMBL3040615
    • SGCUT00119
    • FEMA 3522
    • 2-Propylphenol, >=97%, FG
    • GLXC-26030
    • AAA64435
    • NSC65646
    • to_000076
    • Tox21_302552
    • AKOS009158523
    • NCGC00256723-01
    • CAS-644-35-9
    • TS-01757
    • CS-0236906
    • NS00022618
    • P0530
    • D86075
    • EN300-175001
    • Q27256223
    • 211-415-3
    • JZ4

  • Applications

    2-Propylphenol (CAS 644-35-9) is primarily used as a fragrance ingredient and as a chemical intermediate for the synthesis of aromatic compounds, including phenol derivatives, in the chemical industry. It is commonly employed in cosmetics and personal care as a fragrance component, and is also used as a scent ingredient in household products and cleaning formulations. In industrial manufacturing, 2-Propylphenol serves as an intermediate for the synthesis of dyes and other aromatic compounds, as well as related materials in specialty chemicals. These applications are subject to local regulations and formulation limits, and users should consult safety data and regulatory guidance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3245.31
    methanol 2357.89
    isopropanol 2578.09
    water 0.77
    ethyl acetate 1295.86
    n-propanol 2131.19
    acetone 2289.59
    n-butanol 1731.46
    acetonitrile 2857.69
    DMF 2812.43
    toluene 496.05
    isobutanol 1375.94
    1,4-dioxane 2419.72
    methyl acetate 1460.38
    THF 2688.87
    2-butanone 1711.16
    n-pentanol 1033.08
    sec-butanol 1500.02
    n-hexane 314.99
    ethylene glycol 289.25
    NMP 1094.98
    cyclohexane 332.1
    DMSO 2884.64
    n-butyl acetate 1887.93
    n-octanol 675.31
    chloroform 3367.64
    n-propyl acetate 996.13
    acetic acid 995.84
    dichloromethane 4080.77
    cyclohexanone 1806.12
    propylene glycol 386.89
    isopropyl acetate 608.82
    DMAc 1069.84
    2-ethoxyethanol 898.73
    isopentanol 1083.68
    n-heptane 296.62
    ethyl formate 1245.07
    1,2-dichloroethane 2422.85
    n-hexanol 1879.1
    2-methoxyethanol 1528.86
    isobutyl acetate 559.87
    tetrachloromethane 511.52
    n-pentyl acetate 656.12
    transcutol 1825.91
    n-heptanol 656.8
    ethylbenzene 312.84
    MIBK 609.58
    2-propoxyethanol 1583.1
    tert-butanol 1832.96
    MTBE 1304.72
    2-butoxyethanol 790.12
    propionic acid 1077.94
    o-xylene 279.33
    formic acid 195.57
    diethyl ether 1737.43
    m-xylene 338.15
    p-xylene 350.79
    chlorobenzene 786.59
    dimethyl carbonate 339.26
    n-octane 132.12
    formamide 468.95
    cyclopentanone 1877.87
    2-pentanone 1361.25
    anisole 598.57
    cyclopentyl methyl ether 980.72
    gamma-butyrolactone 1947.68
    1-methoxy-2-propanol 1120.38
    pyridine 1638.56
    3-pentanone 792.32
    furfural 1148.57
    n-dodecane 101.46
    diethylene glycol 768.87
    diisopropyl ether 373.43
    tert-amyl alcohol 1125.18
    acetylacetone 846.73
    n-hexadecane 112.11
    acetophenone 466.03
    methyl propionate 930.75
    isopentyl acetate 1177.64
    trichloroethylene 3196.2
    n-nonanol 519.07
    cyclohexanol 938.77
    benzyl alcohol 426.19
    2-ethylhexanol 892.82
    isooctanol 491.52
    dipropyl ether 1175.96
    1,2-dichlorobenzene 595.31
    ethyl lactate 315.94
    propylene carbonate 997.66
    n-methylformamide 1555.77
    2-pentanol 1025.63
    n-pentane 280.38
    1-propoxy-2-propanol 1256.2
    1-methoxy-2-propyl acetate 803.55
    2-(2-methoxypropoxy) propanol 485.34
    mesitylene 234.09
    ε-caprolactone 1246.8
    p-cymene 268.73
    epichlorohydrin 2306.85
    1,1,1-trichloroethane 1604.39
    2-aminoethanol 686.76
    morpholine-4-carbaldehyde 1158.16
    sulfolane 1684.35
    2,2,4-trimethylpentane 102.16
    2-methyltetrahydrofuran 1829.45
    n-hexyl acetate 907.38
    isooctane 112.28
    2-(2-butoxyethoxy)ethanol 767.63
    sec-butyl acetate 479.82
    tert-butyl acetate 570.0
    decalin 132.48
    glycerin 360.03
    diglyme 1392.82
    acrylic acid 629.2
    isopropyl myristate 327.28
    n-butyric acid 1410.95
    acetyl acetate 446.93
    di(2-ethylhexyl) phthalate 224.39
    ethyl propionate 632.53
    nitromethane 1793.46
    1,2-diethoxyethane 1172.89
    benzonitrile 837.4
    trioctyl phosphate 228.42
    1-bromopropane 1856.59
    gamma-valerolactone 1724.52
    n-decanol 395.31
    triethyl phosphate 243.84
    4-methyl-2-pentanol 441.71
    propionitrile 2101.03
    vinylene carbonate 907.18
    1,1,2-trichlorotrifluoroethane 840.78
    DMS 418.09
    cumene 229.19
    2-octanol 472.66
    2-hexanone 1051.2
    octyl acetate 422.92
    limonene 429.95
    1,2-dimethoxyethane 1768.28
    ethyl orthosilicate 244.04
    tributyl phosphate 249.08
    diacetone alcohol 629.27
    N,N-dimethylaniline 350.65
    acrylonitrile 2057.52
    aniline 585.63
    1,3-propanediol 993.31
    bromobenzene 877.61
    dibromomethane 2947.42
    1,1,2,2-tetrachloroethane 2159.07
    2-methyl-cyclohexyl acetate 441.9
    tetrabutyl urea 344.1
    diisobutyl methanol 412.84
    2-phenylethanol 599.89
    styrene 429.56
    dioctyl adipate 360.36
    dimethyl sulfate 431.82
    ethyl butyrate 935.52
    methyl lactate 329.61
    butyl lactate 426.7
    diethyl carbonate 509.42
    propanediol butyl ether 630.52
    triethyl orthoformate 465.94
    p-tert-butyltoluene 253.43
    methyl 4-tert-butylbenzoate 418.16
    morpholine 2640.54
    tert-butylamine 1238.7
    n-dodecanol 314.2
    dimethoxymethane 1351.31
    ethylene carbonate 833.81
    cyrene 339.15
    2-ethoxyethyl acetate 646.76
    2-ethylhexyl acetate 854.22
    1,2,4-trichlorobenzene 571.6
    4-methylpyridine 1428.32
    dibutyl ether 797.94
    2,6-dimethyl-4-heptanol 412.84
    DEF 1129.94
    dimethyl isosorbide 689.89
    tetrachloroethylene 1309.25
    eugenol 417.76
    triacetin 443.98
    span 80 475.54
    1,4-butanediol 398.16
    1,1-dichloroethane 2656.09
    2-methyl-1-pentanol 688.99
    methyl formate 1032.26
    2-methyl-1-butanol 978.66
    n-decane 163.99
    butyronitrile 2231.5
    3,7-dimethyl-1-octanol 496.85
    1-chlorooctane 512.09
    1-chlorotetradecane 205.82
    n-nonane 182.74
    undecane 126.95
    tert-butylcyclohexane 142.99
    cyclooctane 113.35
    cyclopentanol 1082.42
    tetrahydropyran 2490.52
    tert-amyl methyl ether 696.85
    2,5,8-trioxanonane 845.26
    1-hexene 985.43
    2-isopropoxyethanol 628.19
    2,2,2-trifluoroethanol 221.49
    methyl butyrate 1014.08

    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