2-(3-Phenylpropyl)tetrahydrofuran

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  • Identifiers

    CAS number
    3208-40-0

    Molecular formula
    C13H18O

    SMILES
    C1CC(OC1)CCCC2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 81.09%
    Fruity 71.76%
    Sweet 58.91%
    Floral 52.9%
    Fatty 52.42%
    Earthy 45.6%
    Fresh 42.42%
    Woody 41.14%
    Herbal 40.68%
    Metallic 37.79%

     

    Flavor
    Green 57.46%
    Sweet 48.1%
    Floral 35.13%
    Fruity 34.66%
    Rose 34.32%
    Fresh 30.75%
    Waxy 29.76%
    Earthy 29.12%
    Metallic 28.46%
    Fatty 28.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.94 (neutral)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 105.00 to 107.00 °C. @ 1.00 mm Hg

    Flash point

    • 112.08 ˚C est.

    Solubility expt.

    • very slightly
    • Very slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-(3-Phenylpropyl)tetrahydrofuran
    • 3208-40-0
    • 2-(3-phenylpropyl)oxolane
    • FEMA No. 2898
    • Furan, tetrahydro-2-(3-phenylpropyl)-
    • 2-Hydrocinnamyltetrahydrofuran
    • Tetrahydro-2-(3-phenylpropyl)furan
    • alpha-(3-Phenylpropyl)tetrahydrofuran
    • UNII-8ZH8E0RJQA
    • 8ZH8E0RJQA
    • EINECS 221-715-6
    • 1-Phenyl-3-(Tetrahydrofuryl-2)propane
    • DTXSID9052004
    • (+/-)-2-(3-PHENYLPROPYL)TETRAHYDROFURAN
    • 2-(3-PHENYLPROPYL)-TETRAHYDROFURAN [FHFI]
    • SCHEMBL859158
    • 2-phenyl propyl tetrahydrofuran
    • DTXCID7030567
    • FEMA 2898
    • CHEBI:197262
    • 2-(3-Phenylpropyl)tetrahydrofuran #
    • Tetrahydro-2-(3-phenylpropyl)-Furan
    • AKOS006280055
    • 2-(3-phenyl-1-propyl)-tetrahydrofuran
    • Tetrahydro-2-(3-phenylpropyl)furan, 9CI
    • 2-(3-PHENYLPROPYL)-TETRAHYDROFURAN
    • NS00013151
    • Q27271241
    • 221-715-6

  • Applications

    2-(3-Phenylpropyl)tetrahydrofuran (CAS 3208-40-0) is used primarily as an organic synthesis intermediate, providing building blocks for fragrance compound synthesis and pharmaceutical intermediates. It is also evaluated as a specialty building block for polymers and plastics. In coatings, inks and adhesives, it can function as a processing aid or reactive intermediate to support formulation and performance. Additionally, it may serve as a solvent-like component or carrier in limited cosmetic or personal care formulations where fragrance chemistry is involved.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1345.74
    methanol 1224.48
    isopropanol 848.06
    water 0.26
    ethyl acetate 2915.08
    n-propanol 1101.79
    acetone 1946.0
    n-butanol 1026.66
    acetonitrile 1536.47
    DMF 567.57
    toluene 1047.98
    isobutanol 661.67
    1,4-dioxane 4635.44
    methyl acetate 1783.76
    THF 3136.8
    2-butanone 1590.93
    n-pentanol 722.32
    sec-butanol 710.44
    n-hexane 323.34
    ethylene glycol 237.54
    NMP 456.25
    cyclohexane 526.62
    DMSO 1620.22
    n-butyl acetate 1304.65
    n-octanol 216.76
    chloroform 5399.73
    n-propyl acetate 1197.04
    acetic acid 1062.46
    dichloromethane 5566.19
    cyclohexanone 1732.18
    propylene glycol 325.18
    isopropyl acetate 1486.35
    DMAc 696.12
    2-ethoxyethanol 1307.83
    isopentanol 896.38
    n-heptane 177.49
    ethyl formate 761.95
    1,2-dichloroethane 3543.91
    n-hexanol 674.62
    2-methoxyethanol 1626.77
    isobutyl acetate 735.87
    tetrachloromethane 715.75
    n-pentyl acetate 464.22
    transcutol 5412.01
    n-heptanol 210.65
    ethylbenzene 377.67
    MIBK 854.38
    2-propoxyethanol 1382.87
    tert-butanol 920.54
    MTBE 1800.91
    2-butoxyethanol 527.73
    propionic acid 800.47
    o-xylene 432.21
    formic acid 248.01
    diethyl ether 3901.29
    m-xylene 501.63
    p-xylene 409.98
    chlorobenzene 1177.33
    dimethyl carbonate 470.95
    n-octane 48.95
    formamide 368.26
    cyclopentanone 1379.04
    2-pentanone 1445.21
    anisole 932.82
    cyclopentyl methyl ether 1601.87
    gamma-butyrolactone 1468.0
    1-methoxy-2-propanol 1152.95
    pyridine 2354.24
    3-pentanone 1250.53
    furfural 1263.79
    n-dodecane 35.06
    diethylene glycol 887.83
    diisopropyl ether 779.55
    tert-amyl alcohol 683.69
    acetylacetone 1556.15
    n-hexadecane 42.07
    acetophenone 607.94
    methyl propionate 1345.5
    isopentyl acetate 992.34
    trichloroethylene 4356.3
    n-nonanol 210.89
    cyclohexanol 857.53
    benzyl alcohol 543.62
    2-ethylhexanol 442.4
    isooctanol 193.2
    dipropyl ether 1335.67
    1,2-dichlorobenzene 928.04
    ethyl lactate 319.62
    propylene carbonate 882.51
    n-methylformamide 434.56
    2-pentanol 665.99
    n-pentane 241.12
    1-propoxy-2-propanol 939.35
    1-methoxy-2-propyl acetate 1222.36
    2-(2-methoxypropoxy) propanol 599.12
    mesitylene 320.97
    ε-caprolactone 1464.19
    p-cymene 215.62
    epichlorohydrin 2811.7
    1,1,1-trichloroethane 2420.28
    2-aminoethanol 494.34
    morpholine-4-carbaldehyde 1223.76
    sulfolane 1192.86
    2,2,4-trimethylpentane 102.18
    2-methyltetrahydrofuran 2312.8
    n-hexyl acetate 631.81
    isooctane 94.42
    2-(2-butoxyethoxy)ethanol 898.96
    sec-butyl acetate 801.92
    tert-butyl acetate 1222.93
    decalin 188.03
    glycerin 408.1
    diglyme 1932.09
    acrylic acid 563.85
    isopropyl myristate 268.71
    n-butyric acid 1337.52
    acetyl acetate 1401.32
    di(2-ethylhexyl) phthalate 206.95
    ethyl propionate 1053.13
    nitromethane 1627.77
    1,2-diethoxyethane 2370.21
    benzonitrile 673.89
    trioctyl phosphate 134.34
    1-bromopropane 2186.8
    gamma-valerolactone 1759.56
    n-decanol 157.02
    triethyl phosphate 319.08
    4-methyl-2-pentanol 406.07
    propionitrile 1186.8
    vinylene carbonate 814.34
    1,1,2-trichlorotrifluoroethane 1373.23
    DMS 636.65
    cumene 234.07
    2-octanol 128.04
    2-hexanone 904.56
    octyl acetate 285.16
    limonene 368.45
    1,2-dimethoxyethane 2236.04
    ethyl orthosilicate 344.96
    tributyl phosphate 220.79
    diacetone alcohol 751.36
    N,N-dimethylaniline 431.19
    acrylonitrile 1054.87
    aniline 957.64
    1,3-propanediol 742.47
    bromobenzene 1438.07
    dibromomethane 3652.56
    1,1,2,2-tetrachloroethane 3596.44
    2-methyl-cyclohexyl acetate 518.07
    tetrabutyl urea 238.7
    diisobutyl methanol 293.96
    2-phenylethanol 510.96
    styrene 601.72
    dioctyl adipate 370.41
    dimethyl sulfate 495.78
    ethyl butyrate 1022.69
    methyl lactate 381.06
    butyl lactate 315.18
    diethyl carbonate 601.63
    propanediol butyl ether 394.04
    triethyl orthoformate 661.66
    p-tert-butyltoluene 209.85
    methyl 4-tert-butylbenzoate 400.58
    morpholine 3829.79
    tert-butylamine 650.15
    n-dodecanol 127.47
    dimethoxymethane 1377.45
    ethylene carbonate 854.01
    cyrene 383.65
    2-ethoxyethyl acetate 940.96
    2-ethylhexyl acetate 768.13
    1,2,4-trichlorobenzene 1000.22
    4-methylpyridine 1528.45
    dibutyl ether 756.91
    2,6-dimethyl-4-heptanol 293.96
    DEF 1219.89
    dimethyl isosorbide 841.34
    tetrachloroethylene 2331.54
    eugenol 353.51
    triacetin 689.84
    span 80 430.08
    1,4-butanediol 296.02
    1,1-dichloroethane 2842.66
    2-methyl-1-pentanol 623.8
    methyl formate 363.07
    2-methyl-1-butanol 737.74
    n-decane 65.09
    butyronitrile 1177.38
    3,7-dimethyl-1-octanol 306.7
    1-chlorooctane 244.85
    1-chlorotetradecane 104.75
    n-nonane 66.47
    undecane 45.24
    tert-butylcyclohexane 154.05
    cyclooctane 174.82
    cyclopentanol 625.95
    tetrahydropyran 3680.6
    tert-amyl methyl ether 978.65
    2,5,8-trioxanonane 1136.04
    1-hexene 933.97
    2-isopropoxyethanol 871.5
    2,2,2-trifluoroethanol 297.01
    methyl butyrate 1110.69

    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