4-Propylanisole

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  • Identifiers

    CAS number
    104-45-0

    Molecular formula
    C10H14O

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

  • Odor profile

    Sweet 67.56%
    Herbal 56.33%
    Phenolic 50.65%
    Anisic 49.52%
    Spicy 49.12%
    Nutty 45.64%
    Earthy 43.43%
    Musty 34.0%
    Tobacco 31.64%
    Green 30.21%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 212.00 to 213.00 °C. @ 760.00 mm Hg

    Flash point est.
    76.4 ˚C

    Solubility expt.

    • Slightly soluble in water, Miscible in oils
    • soluble (in ethanol)

  • Synonyms

    • 4-Propylanisole
    • 1-Methoxy-4-propylbenzene
    • 104-45-0
    • 4-n-Propylanisole
    • Dihydroanethole
    • p-Propyl anisole
    • p-Propylanisole
    • Anisole, p-propyl-
    • p-n-Propylanisole
    • Benzene, 1-methoxy-4-propyl-
    • p-Propylmethoxybenzene
    • p-n-Propyl anisole
    • 4-Propylmethoxybenzene
    • Methyl p-propylphenyl ether
    • FEMA No. 2930
    • 1-methoxy-4-propyl-benzene
    • NSC 37996
    • EINECS 203-203-4
    • BRN 2042121
    • DTXSID0042325
    • AI3-03434
    • 932XJ1O77X
    • NSC-37996
    • p-Propylphenol methyl ether
    • P-PROPYL ANISOLE [FCC]
    • DTXCID8022325
    • P-PROPYL ANISOLE [FHFI]
    • CHEBI:88473
    • dihydroanethol
    • propylanisol
    • Benzene,1-methoxy-4-propyl-
    • UNII-932XJ1O77X
    • p-Propyl-Anisole
    • 4-Promethoxybenzene
    • MFCD00027121
    • 4-Methoxyphenylpropane
    • 4-methoxy phenylpropane
    • 4-Propylanisole, 8CI
    • PARA-PROPYLANISOLE
    • SCHEMBL91277
    • WLN: 3R DO1
    • CHEMBL3185876
    • SCHEMBL12015214
    • FEMA 2930
    • 1-Methoxy-4-propylbenzene, 9CI
    • NSC37996
    • Tox21_301169
    • AKOS015839612
    • p-Propyl anisole, >=99%, FCC, FG
    • NCGC00248314-01
    • NCGC00255067-01
    • AS-75536
    • CAS-104-45-0
    • DB-040544
    • CS-0152413
    • NS00012228
    • D97196
    • Q27160351
    • 203-203-4

  • Applications

    p-Propyl anisole (CAS 104-45-0) is employed primarily as a fragrance ingredient in fine perfumes, air-freshening waxes, deodorants and essential-oil candles because of its sweet, light, vanilla-woody odour, and it also serves as a flavour modifier in food, beverages and tobacco where it stabilises aroma profiles under heat; in analytical chemistry the compound is used as a gas-chromatography and mass-spectrometry reference standard for methoxy-alkyl aromatics, as a solvent for probing electrophilic aromatic substitution mechanisms, as an organic phase mimic in thin-layer chromatography development, and as a versatile precursor for synthesising higher anisole ethers, hydrophobic polymer modifiers, nanosurface coatings and photoluminescence-tuning intermediates for organic electronic materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6002.17
    methanol 5014.0
    isopropanol 3610.71
    water 0.4
    ethyl acetate 11516.95
    n-propanol 5211.2
    acetone 9974.39
    n-butanol 4536.74
    acetonitrile 9979.11
    DMF 4983.26
    toluene 3014.91
    isobutanol 2994.33
    1,4-dioxane 10761.55
    methyl acetate 8111.32
    THF 8230.08
    2-butanone 7208.88
    n-pentanol 2451.65
    sec-butanol 3204.61
    n-hexane 719.58
    ethylene glycol 870.55
    NMP 2814.19
    cyclohexane 1196.59
    DMSO 7541.37
    n-butyl acetate 5408.73
    n-octanol 578.86
    chloroform 13321.43
    n-propyl acetate 3766.8
    acetic acid 3786.21
    dichloromethane 16723.48
    cyclohexanone 6483.73
    propylene glycol 1110.6
    isopropyl acetate 3672.37
    DMAc 2381.98
    2-ethoxyethanol 3633.3
    isopentanol 3008.18
    n-heptane 328.69
    ethyl formate 3749.3
    1,2-dichloroethane 13316.48
    n-hexanol 2696.14
    2-methoxyethanol 6420.26
    isobutyl acetate 1600.24
    tetrachloromethane 2462.05
    n-pentyl acetate 1388.21
    transcutol 10780.86
    n-heptanol 596.24
    ethylbenzene 1044.59
    MIBK 2076.98
    2-propoxyethanol 4428.91
    tert-butanol 3926.37
    MTBE 6026.61
    2-butoxyethanol 1290.4
    propionic acid 3485.7
    o-xylene 1036.21
    formic acid 931.35
    diethyl ether 12054.1
    m-xylene 1309.07
    p-xylene 997.43
    chlorobenzene 4068.49
    dimethyl carbonate 1778.42
    n-octane 94.8
    formamide 2141.43
    cyclopentanone 6097.0
    2-pentanone 5960.87
    anisole 2519.4
    cyclopentyl methyl ether 4886.11
    gamma-butyrolactone 6260.29
    1-methoxy-2-propanol 3356.13
    pyridine 7588.1
    3-pentanone 4780.6
    furfural 4515.25
    n-dodecane 58.24
    diethylene glycol 2491.92
    diisopropyl ether 1673.04
    tert-amyl alcohol 3088.02
    acetylacetone 4871.0
    n-hexadecane 70.67
    acetophenone 1517.36
    methyl propionate 6264.36
    isopentyl acetate 3114.32
    trichloroethylene 17681.5
    n-nonanol 481.91
    cyclohexanol 2969.52
    benzyl alcohol 1528.92
    2-ethylhexanol 1302.58
    isooctanol 476.23
    dipropyl ether 2974.14
    1,2-dichlorobenzene 2826.14
    ethyl lactate 784.06
    propylene carbonate 2873.62
    n-methylformamide 3688.65
    2-pentanol 2551.17
    n-pentane 722.57
    1-propoxy-2-propanol 2609.76
    1-methoxy-2-propyl acetate 3303.65
    2-(2-methoxypropoxy) propanol 1080.68
    mesitylene 674.79
    ε-caprolactone 4853.14
    p-cymene 459.45
    epichlorohydrin 10106.0
    1,1,1-trichloroethane 9314.67
    2-aminoethanol 1961.24
    morpholine-4-carbaldehyde 4342.36
    sulfolane 5490.68
    2,2,4-trimethylpentane 227.38
    2-methyltetrahydrofuran 7835.8
    n-hexyl acetate 1707.94
    isooctane 191.15
    2-(2-butoxyethoxy)ethanol 1732.69
    sec-butyl acetate 1919.29
    tert-butyl acetate 3186.77
    decalin 333.06
    glycerin 1096.42
    diglyme 3954.56
    acrylic acid 2407.46
    isopropyl myristate 531.34
    n-butyric acid 5049.79
    acetyl acetate 3694.53
    di(2-ethylhexyl) phthalate 403.85
    ethyl propionate 3251.56
    nitromethane 8552.8
    1,2-diethoxyethane 5934.8
    benzonitrile 2451.62
    trioctyl phosphate 292.7
    1-bromopropane 7299.11
    gamma-valerolactone 6602.36
    n-decanol 352.67
    triethyl phosphate 632.05
    4-methyl-2-pentanol 923.37
    propionitrile 6286.58
    vinylene carbonate 2779.84
    1,1,2-trichlorotrifluoroethane 4639.51
    DMS 1795.74
    cumene 488.72
    2-octanol 381.8
    2-hexanone 2977.32
    octyl acetate 640.57
    limonene 852.01
    1,2-dimethoxyethane 5851.58
    ethyl orthosilicate 692.46
    tributyl phosphate 508.23
    diacetone alcohol 2290.76
    N,N-dimethylaniline 937.32
    acrylonitrile 6172.69
    aniline 3438.13
    1,3-propanediol 2804.86
    bromobenzene 4780.14
    dibromomethane 10906.94
    1,1,2,2-tetrachloroethane 11977.5
    2-methyl-cyclohexyl acetate 1034.15
    tetrabutyl urea 533.81
    diisobutyl methanol 606.74
    2-phenylethanol 1583.49
    styrene 1762.7
    dioctyl adipate 714.55
    dimethyl sulfate 1935.85
    ethyl butyrate 2719.53
    methyl lactate 1129.97
    butyl lactate 805.43
    diethyl carbonate 1567.26
    propanediol butyl ether 956.3
    triethyl orthoformate 1273.32
    p-tert-butyltoluene 449.22
    methyl 4-tert-butylbenzoate 732.62
    morpholine 12237.08
    tert-butylamine 2699.77
    n-dodecanol 270.18
    dimethoxymethane 5252.17
    ethylene carbonate 2747.31
    cyrene 742.65
    2-ethoxyethyl acetate 2583.96
    2-ethylhexyl acetate 2388.2
    1,2,4-trichlorobenzene 3098.09
    4-methylpyridine 6429.11
    dibutyl ether 1713.43
    2,6-dimethyl-4-heptanol 606.74
    DEF 5485.31
    dimethyl isosorbide 1785.84
    tetrachloroethylene 7937.01
    eugenol 797.17
    triacetin 1275.61
    span 80 898.38
    1,4-butanediol 875.06
    1,1-dichloroethane 11228.66
    2-methyl-1-pentanol 1969.35
    methyl formate 2867.94
    2-methyl-1-butanol 2824.83
    n-decane 110.93
    butyronitrile 5592.81
    3,7-dimethyl-1-octanol 699.8
    1-chlorooctane 612.82
    1-chlorotetradecane 201.02
    n-nonane 121.79
    undecane 76.86
    tert-butylcyclohexane 295.81
    cyclooctane 334.88
    cyclopentanol 2491.3
    tetrahydropyran 11683.68
    tert-amyl methyl ether 3068.3
    2,5,8-trioxanonane 2054.04
    1-hexene 2571.14
    2-isopropoxyethanol 2085.33
    2,2,2-trifluoroethanol 907.54
    methyl butyrate 3927.91

    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

Botanical

Name CAS Botanical Proportion
Ylang Ylang (China) 2a 8006-81-5 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.23%
Ylang Ylang (China) 2b 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.04%