3-Propylphenol

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  • Identifiers

    CAS number
    621-27-2

    Molecular formula
    C9H12O

    SMILES
    CCCC1=CC(=CC=C1)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Phenolic 76.78%
    Animal 51.42%
    Leathery 49.42%
    Smoky 48.44%
    Medicinal 47.83%
    Spicy 46.6%
    Woody 45.64%
    Burnt 36.25%
    Musty 30.98%
    Dry 30.67%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    227°C

    Flash point est.
    108.28 ˚C

  • Synonyms

    • 3-n-Propylphenol
    • 3-Propylphenol
    • 621-27-2
    • m-Propylphenol
    • Phenol, 3-propyl-
    • Phenol, m-propyl-
    • 1-Hydroxy-3-n-propylbenzene
    • UNII-593R721CIC
    • 593R721CIC
    • EINECS 210-675-5
    • MFCD01632130
    • NSC 46998
    • NSC-46998
    • DTXSID10211145
    • 3-propyl-phenol
    • Phenol, m-propyl-(8CI)
    • 3-Propylphenol, AldrichCPR
    • Phenol, 3-propyl-(9CI)
    • SCHEMBL216654
    • CHEMBL467077
    • DTXCID10133636
    • NSC46998
    • AKOS006230617
    • DS-12530
    • FP160230
    • NS00034925
    • F71517
    • Q27261643

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5776.15
    methanol 3797.41
    isopropanol 4185.16
    water 0.33
    ethyl acetate 2471.48
    n-propanol 3786.54
    acetone 5214.39
    n-butanol 3128.09
    acetonitrile 4403.38
    DMF 4277.12
    toluene 520.12
    isobutanol 2268.33
    1,4-dioxane 3718.57
    methyl acetate 2087.93
    THF 5725.43
    2-butanone 2749.96
    n-pentanol 1420.63
    sec-butanol 2138.71
    n-hexane 268.31
    ethylene glycol 498.54
    NMP 1463.95
    cyclohexane 352.78
    DMSO 5268.33
    n-butyl acetate 2112.31
    n-octanol 576.65
    chloroform 3016.24
    n-propyl acetate 1063.93
    acetic acid 1701.46
    dichloromethane 3862.12
    cyclohexanone 2856.37
    propylene glycol 762.77
    isopropyl acetate 1036.26
    DMAc 1070.67
    2-ethoxyethanol 1120.73
    isopentanol 1772.63
    n-heptane 315.33
    ethyl formate 1769.73
    1,2-dichloroethane 2521.07
    n-hexanol 2723.67
    2-methoxyethanol 2906.76
    isobutyl acetate 500.69
    tetrachloromethane 372.66
    n-pentyl acetate 547.86
    transcutol 2461.84
    n-heptanol 625.92
    ethylbenzene 240.36
    MIBK 1009.29
    2-propoxyethanol 2533.81
    tert-butanol 2774.61
    MTBE 1748.61
    2-butoxyethanol 757.87
    propionic acid 1664.93
    o-xylene 240.08
    formic acid 297.46
    diethyl ether 2915.44
    m-xylene 371.54
    p-xylene 252.85
    chlorobenzene 763.28
    dimethyl carbonate 493.95
    n-octane 86.21
    formamide 709.57
    cyclopentanone 3486.86
    2-pentanone 2779.19
    anisole 577.06
    cyclopentyl methyl ether 1845.45
    gamma-butyrolactone 3420.51
    1-methoxy-2-propanol 2192.73
    pyridine 1796.46
    3-pentanone 1260.68
    furfural 1370.12
    n-dodecane 64.73
    diethylene glycol 1210.72
    diisopropyl ether 494.68
    tert-amyl alcohol 1362.43
    acetylacetone 1587.21
    n-hexadecane 72.89
    acetophenone 407.33
    methyl propionate 1653.16
    isopentyl acetate 1286.78
    trichloroethylene 3069.91
    n-nonanol 431.93
    cyclohexanol 1457.97
    benzyl alcohol 420.45
    2-ethylhexanol 980.53
    isooctanol 394.65
    dipropyl ether 1572.26
    1,2-dichlorobenzene 482.2
    ethyl lactate 298.69
    propylene carbonate 1289.96
    n-methylformamide 2515.95
    2-pentanol 1644.29
    n-pentane 300.4
    1-propoxy-2-propanol 1658.78
    1-methoxy-2-propyl acetate 1150.54
    2-(2-methoxypropoxy) propanol 490.68
    mesitylene 207.83
    ε-caprolactone 1619.74
    p-cymene 216.52
    epichlorohydrin 3429.7
    1,1,1-trichloroethane 1605.72
    2-aminoethanol 1242.78
    morpholine-4-carbaldehyde 1614.21
    sulfolane 2577.09
    2,2,4-trimethylpentane 82.29
    2-methyltetrahydrofuran 3407.05
    n-hexyl acetate 849.66
    isooctane 99.9
    2-(2-butoxyethoxy)ethanol 799.87
    sec-butyl acetate 462.1
    tert-butyl acetate 823.01
    decalin 100.13
    glycerin 596.42
    diglyme 1532.87
    acrylic acid 912.97
    isopropyl myristate 274.78
    n-butyric acid 2548.93
    acetyl acetate 769.2
    di(2-ethylhexyl) phthalate 204.38
    ethyl propionate 794.25
    nitromethane 3283.83
    1,2-diethoxyethane 1379.64
    benzonitrile 686.32
    trioctyl phosphate 203.89
    1-bromopropane 1917.91
    gamma-valerolactone 2918.5
    n-decanol 328.03
    triethyl phosphate 212.13
    4-methyl-2-pentanol 550.02
    propionitrile 2595.68
    vinylene carbonate 986.64
    1,1,2-trichlorotrifluoroethane 1022.28
    DMS 451.22
    cumene 155.25
    2-octanol 373.14
    2-hexanone 1205.92
    octyl acetate 373.81
    limonene 439.19
    1,2-dimethoxyethane 2150.08
    ethyl orthosilicate 214.4
    tributyl phosphate 232.97
    diacetone alcohol 946.42
    N,N-dimethylaniline 279.42
    acrylonitrile 2477.21
    aniline 758.7
    1,3-propanediol 1718.01
    bromobenzene 750.64
    dibromomethane 2618.86
    1,1,2,2-tetrachloroethane 1997.1
    2-methyl-cyclohexyl acetate 460.45
    tetrabutyl urea 312.78
    diisobutyl methanol 403.03
    2-phenylethanol 609.36
    styrene 336.69
    dioctyl adipate 349.59
    dimethyl sulfate 547.97
    ethyl butyrate 994.77
    methyl lactate 449.05
    butyl lactate 383.17
    diethyl carbonate 490.61
    propanediol butyl ether 676.46
    triethyl orthoformate 459.85
    p-tert-butyltoluene 218.29
    methyl 4-tert-butylbenzoate 361.46
    morpholine 4569.91
    tert-butylamine 1695.78
    n-dodecanol 253.14
    dimethoxymethane 2709.25
    ethylene carbonate 999.98
    cyrene 349.27
    2-ethoxyethyl acetate 651.34
    2-ethylhexyl acetate 839.81
    1,2,4-trichlorobenzene 490.38
    4-methylpyridine 1598.62
    dibutyl ether 792.13
    2,6-dimethyl-4-heptanol 403.03
    DEF 1801.43
    dimethyl isosorbide 766.45
    tetrachloroethylene 1112.8
    eugenol 358.82
    triacetin 420.46
    span 80 505.68
    1,4-butanediol 496.89
    1,1-dichloroethane 2843.77
    2-methyl-1-pentanol 766.11
    methyl formate 1752.57
    2-methyl-1-butanol 1478.78
    n-decane 110.43
    butyronitrile 3102.47
    3,7-dimethyl-1-octanol 462.66
    1-chlorooctane 398.37
    1-chlorotetradecane 144.16
    n-nonane 119.15
    undecane 83.33
    tert-butylcyclohexane 104.8
    cyclooctane 110.48
    cyclopentanol 1851.03
    tetrahydropyran 4442.81
    tert-amyl methyl ether 816.26
    2,5,8-trioxanonane 863.56
    1-hexene 979.17
    2-isopropoxyethanol 695.13
    2,2,2-trifluoroethanol 284.23
    methyl butyrate 1192.82

    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