2-(3-Phenylpropyl)furan

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  • Identifiers

    CAS number
    5073-13-2

    Molecular formula
    C13H14O

    SMILES
    C1=CC=C(C=C1)CCCC2=CC=CO2

    Safety labels

  • Odor profile

    Fragrance
    Green 70.8%
    Earthy 52.81%
    Fatty 52.63%
    Fruity 45.49%
    Metallic 45.05%
    Floral 44.4%
    Mushroom 42.31%
    Vegetable 39.55%
    Burnt 35.46%
    Waxy 35.19%

     

    Flavor
    Green 71.76%
    Fruity 54.56%
    Sweet 50.12%
    Earthy 42.69%
    Rose 38.1%
    Floral 37.81%
    Waxy 36.01%
    Mushroom 35.26%
    Fatty 34.26%
    Spicy 32.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    6.57 (neutral)

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 111.82 ˚C est.

  • Synonyms

    • 2-(3-Phenylpropyl)furan
    • IBN6FAY5JX
    • Furan, 2-(3-phenylpropyl)-
    • UNII-IBN6FAY5JX
    • 1-(2-Furyl)-3-phenylpropane
    • 5073-13-2
    • RefChem:84269
    • HWYJSJWNOAJXLT-UHFFFAOYSA-N
    • 2-(3-phenyl-propyl)-furan
    • 1-phenyl-3-(2-furyl)propane
    • SCHEMBL6569729
    • SCHEMBL7364038
    • DTXSID901377061
    • AKOS015904862
    • Q27280652
    • 5073-13-2

  • Applications

    2-(3-Phenylpropyl)furan (CAS 5073-13-2) is a furan derivative that is commonly used as a chemical intermediate and fragrance-related material; in perfumery and cosmetics, it can serve as a fragrance ingredient or aroma intermediate; in pharmaceutical and agrochemical research, it can be a building block for more complex molecules; in polymers/plastics, it may act as a precursor for specialty polymers; in industrial manufacturing, it supports synthesis as an organic intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 403.72
    methanol 469.95
    isopropanol 195.93
    water 0.09
    ethyl acetate 748.02
    n-propanol 307.17
    acetone 643.29
    n-butanol 252.19
    acetonitrile 454.46
    DMF 312.3
    toluene 374.23
    isobutanol 181.75
    1,4-dioxane 1568.58
    methyl acetate 544.99
    THF 1265.53
    2-butanone 609.89
    n-pentanol 231.14
    sec-butanol 205.79
    n-hexane 56.63
    ethylene glycol 104.38
    NMP 235.74
    cyclohexane 75.01
    DMSO 1061.2
    n-butyl acetate 323.33
    n-octanol 63.86
    chloroform 1840.86
    n-propyl acetate 323.96
    acetic acid 309.69
    dichloromethane 2176.78
    cyclohexanone 644.11
    propylene glycol 145.81
    isopropyl acetate 340.64
    DMAc 432.88
    2-ethoxyethanol 475.54
    isopentanol 221.52
    n-heptane 33.15
    ethyl formate 209.38
    1,2-dichloroethane 1461.98
    n-hexanol 184.15
    2-methoxyethanol 619.38
    isobutyl acetate 234.73
    tetrachloromethane 143.1
    n-pentyl acetate 138.4
    transcutol 2829.5
    n-heptanol 62.14
    ethylbenzene 148.1
    MIBK 282.13
    2-propoxyethanol 443.25
    tert-butanol 246.26
    MTBE 487.86
    2-butoxyethanol 173.15
    propionic acid 238.36
    o-xylene 149.95
    formic acid 91.73
    diethyl ether 1072.43
    m-xylene 163.21
    p-xylene 150.16
    chlorobenzene 420.97
    dimethyl carbonate 211.08
    n-octane 10.72
    formamide 182.84
    cyclopentanone 599.0
    2-pentanone 436.18
    anisole 427.58
    cyclopentyl methyl ether 511.71
    gamma-butyrolactone 632.31
    1-methoxy-2-propanol 411.24
    pyridine 930.0
    3-pentanone 436.96
    furfural 546.15
    n-dodecane 9.82
    diethylene glycol 334.88
    diisopropyl ether 185.94
    tert-amyl alcohol 228.13
    acetylacetone 555.76
    n-hexadecane 11.82
    acetophenone 283.21
    methyl propionate 469.58
    isopentyl acetate 294.34
    trichloroethylene 2005.38
    n-nonanol 67.64
    cyclohexanol 210.21
    benzyl alcohol 239.77
    2-ethylhexanol 132.94
    isooctanol 63.11
    dipropyl ether 348.08
    1,2-dichlorobenzene 324.61
    ethyl lactate 119.3
    propylene carbonate 289.36
    n-methylformamide 199.33
    2-pentanol 163.4
    n-pentane 35.21
    1-propoxy-2-propanol 276.73
    1-methoxy-2-propyl acetate 381.6
    2-(2-methoxypropoxy) propanol 309.44
    mesitylene 100.75
    ε-caprolactone 468.77
    p-cymene 74.57
    epichlorohydrin 1273.1
    1,1,1-trichloroethane 724.97
    2-aminoethanol 201.72
    morpholine-4-carbaldehyde 560.07
    sulfolane 636.26
    2,2,4-trimethylpentane 27.32
    2-methyltetrahydrofuran 795.33
    n-hexyl acetate 204.93
    isooctane 21.56
    2-(2-butoxyethoxy)ethanol 444.76
    sec-butyl acetate 237.71
    tert-butyl acetate 359.43
    decalin 48.73
    glycerin 193.95
    diglyme 847.91
    acrylic acid 204.64
    isopropyl myristate 99.23
    n-butyric acid 343.68
    acetyl acetate 361.41
    di(2-ethylhexyl) phthalate 95.05
    ethyl propionate 309.67
    nitromethane 628.22
    1,2-diethoxyethane 818.69
    benzonitrile 241.0
    trioctyl phosphate 53.31
    1-bromopropane 691.84
    gamma-valerolactone 769.63
    n-decanol 53.86
    triethyl phosphate 128.11
    4-methyl-2-pentanol 113.14
    propionitrile 351.23
    vinylene carbonate 284.54
    1,1,2-trichlorotrifluoroethane 540.9
    DMS 293.69
    cumene 95.6
    2-octanol 39.84
    2-hexanone 325.82
    octyl acetate 106.4
    limonene 115.67
    1,2-dimethoxyethane 811.22
    ethyl orthosilicate 130.82
    tributyl phosphate 85.71
    diacetone alcohol 293.04
    N,N-dimethylaniline 223.85
    acrylonitrile 372.65
    aniline 342.36
    1,3-propanediol 244.87
    bromobenzene 480.07
    dibromomethane 1275.21
    1,1,2,2-tetrachloroethane 1438.38
    2-methyl-cyclohexyl acetate 199.87
    tetrabutyl urea 102.78
    diisobutyl methanol 93.48
    2-phenylethanol 191.97
    styrene 236.0
    dioctyl adipate 162.4
    dimethyl sulfate 268.46
    ethyl butyrate 270.73
    methyl lactate 153.11
    butyl lactate 111.76
    diethyl carbonate 185.89
    propanediol butyl ether 175.74
    triethyl orthoformate 196.6
    p-tert-butyltoluene 72.44
    methyl 4-tert-butylbenzoate 195.62
    morpholine 1431.11
    tert-butylamine 164.98
    n-dodecanol 44.15
    dimethoxymethane 648.73
    ethylene carbonate 254.5
    cyrene 216.7
    2-ethoxyethyl acetate 322.83
    2-ethylhexyl acetate 229.1
    1,2,4-trichlorobenzene 392.21
    4-methylpyridine 583.9
    dibutyl ether 225.83
    2,6-dimethyl-4-heptanol 93.48
    DEF 444.03
    dimethyl isosorbide 433.52
    tetrachloroethylene 829.33
    eugenol 192.07
    triacetin 288.71
    span 80 205.81
    1,4-butanediol 111.6
    1,1-dichloroethane 929.4
    2-methyl-1-pentanol 218.34
    methyl formate 164.5
    2-methyl-1-butanol 207.94
    n-decane 15.28
    butyronitrile 276.24
    3,7-dimethyl-1-octanol 108.87
    1-chlorooctane 80.88
    1-chlorotetradecane 35.62
    n-nonane 14.18
    undecane 11.74
    tert-butylcyclohexane 42.74
    cyclooctane 27.59
    cyclopentanol 175.86
    tetrahydropyran 1138.39
    tert-amyl methyl ether 319.65
    2,5,8-trioxanonane 583.38
    1-hexene 231.58
    2-isopropoxyethanol 320.04
    2,2,2-trifluoroethanol 80.39
    methyl butyrate 342.55

    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