2-(3-Phenyl-1-propyn-1-yl)furan

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    502-22-7

    Molecular formula
    C13H10O

    SMILES
    C1=CC=C(C=C1)CC#CC2=CC=CO2

  • Odor profile

    Green 49.97%
    Floral 47.58%
    Spicy 45.75%
    Sweet 41.49%
    Metallic 33.52%
    Earthy 27.84%
    Cinnamon 27.6%
    Fruity 25.7%
    Hyacinth 25.55%
    Anisic 25.48%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    5.06 (weak acid)

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    287°C

    Flash point est.
    128.09 ˚C

  • Synonyms

    • Carlina oxide
    • 502-22-7
    • 2-(3-phenylprop-1-ynyl)furan
    • 2-(3-phenylprop-1-yn-1-yl)furan
    • Furan, 2-(3-phenyl-1-propynyl)-
    • 2-(3-Phenyl-1-propyn-1-yl)furan
    • 2-(3-Phenyl-1-propyn-1-yl)-furan;2-(3-Phenyl-1-propynyl)-furan
    • AC1L4V5J
    • AC1Q28AJ
    • benzyl 2-furylacetylene
    • SureCN11272511
    • CHEBI:3420
    • SCHEMBL11272511
    • EX-A7842K
    • DTXSID80198237
    • AAA50222
    • AKOS028111351
    • HY-W643128
    • AS-59276
    • DB-148180
    • CS-0727417
    • C08399
    • F95312
    • Q27106067

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 322.52
    methanol 400.38
    isopropanol 151.88
    water 0.15
    ethyl acetate 672.68
    n-propanol 241.2
    acetone 848.27
    n-butanol 174.7
    acetonitrile 447.94
    DMF 624.95
    toluene 161.81
    isobutanol 134.6
    1,4-dioxane 844.74
    methyl acetate 543.54
    THF 880.57
    2-butanone 617.02
    n-pentanol 146.55
    sec-butanol 160.75
    n-hexane 11.96
    ethylene glycol 168.81
    NMP 305.07
    cyclohexane 18.54
    DMSO 1488.67
    n-butyl acetate 196.51
    n-octanol 51.4
    chloroform 913.63
    n-propyl acetate 251.61
    acetic acid 362.81
    dichloromethane 1072.67
    cyclohexanone 443.0
    propylene glycol 223.31
    isopropyl acetate 261.67
    DMAc 590.89
    2-ethoxyethanol 425.44
    isopentanol 150.96
    n-heptane 12.53
    ethyl formate 209.77
    1,2-dichloroethane 783.0
    n-hexanol 113.64
    2-methoxyethanol 673.58
    isobutyl acetate 158.26
    tetrachloromethane 46.77
    n-pentyl acetate 94.59
    transcutol 2352.37
    n-heptanol 44.98
    ethylbenzene 70.32
    MIBK 218.75
    2-propoxyethanol 324.69
    tert-butanol 181.32
    MTBE 242.2
    2-butoxyethanol 145.31
    propionic acid 263.36
    o-xylene 67.3
    formic acid 158.58
    diethyl ether 506.67
    m-xylene 76.94
    p-xylene 76.89
    chlorobenzene 214.04
    dimethyl carbonate 281.81
    n-octane 4.36
    formamide 386.32
    cyclopentanone 578.92
    2-pentanone 413.43
    anisole 304.81
    cyclopentyl methyl ether 290.59
    gamma-butyrolactone 623.06
    1-methoxy-2-propanol 443.87
    pyridine 652.77
    3-pentanone 344.89
    furfural 534.75
    n-dodecane 5.34
    diethylene glycol 335.41
    diisopropyl ether 91.9
    tert-amyl alcohol 162.17
    acetylacetone 592.07
    n-hexadecane 6.32
    acetophenone 229.04
    methyl propionate 511.69
    isopentyl acetate 191.82
    trichloroethylene 1340.39
    n-nonanol 50.88
    cyclohexanol 130.94
    benzyl alcohol 191.91
    2-ethylhexanol 76.77
    isooctanol 44.72
    dipropyl ether 157.05
    1,2-dichlorobenzene 174.03
    ethyl lactate 131.12
    propylene carbonate 264.35
    n-methylformamide 345.23
    2-pentanol 116.91
    n-pentane 9.96
    1-propoxy-2-propanol 207.37
    1-methoxy-2-propyl acetate 299.66
    2-(2-methoxypropoxy) propanol 256.72
    mesitylene 47.79
    ε-caprolactone 325.59
    p-cymene 43.57
    epichlorohydrin 968.07
    1,1,1-trichloroethane 356.94
    2-aminoethanol 243.03
    morpholine-4-carbaldehyde 564.66
    sulfolane 656.69
    2,2,4-trimethylpentane 11.03
    2-methyltetrahydrofuran 444.26
    n-hexyl acetate 150.5
    isooctane 9.03
    2-(2-butoxyethoxy)ethanol 366.89
    sec-butyl acetate 175.95
    tert-butyl acetate 269.05
    decalin 16.76
    glycerin 298.45
    diglyme 764.03
    acrylic acid 281.92
    isopropyl myristate 70.68
    n-butyric acid 277.79
    acetyl acetate 322.19
    di(2-ethylhexyl) phthalate 69.45
    ethyl propionate 256.53
    nitromethane 1060.5
    1,2-diethoxyethane 439.7
    benzonitrile 185.08
    trioctyl phosphate 41.78
    1-bromopropane 269.93
    gamma-valerolactone 711.58
    n-decanol 39.39
    triethyl phosphate 90.37
    4-methyl-2-pentanol 77.96
    propionitrile 271.99
    vinylene carbonate 267.39
    1,1,2-trichlorotrifluoroethane 641.99
    DMS 254.7
    cumene 50.26
    2-octanol 30.53
    2-hexanone 243.54
    octyl acetate 79.29
    limonene 65.2
    1,2-dimethoxyethane 635.59
    ethyl orthosilicate 86.64
    tributyl phosphate 62.39
    diacetone alcohol 284.08
    N,N-dimethylaniline 147.16
    acrylonitrile 393.34
    aniline 212.95
    1,3-propanediol 253.08
    bromobenzene 216.14
    dibromomethane 529.91
    1,1,2,2-tetrachloroethane 829.06
    2-methyl-cyclohexyl acetate 132.58
    tetrabutyl urea 79.56
    diisobutyl methanol 57.81
    2-phenylethanol 139.93
    styrene 112.86
    dioctyl adipate 122.44
    dimethyl sulfate 373.88
    ethyl butyrate 179.19
    methyl lactate 214.11
    butyl lactate 97.86
    diethyl carbonate 141.97
    propanediol butyl ether 179.78
    triethyl orthoformate 129.99
    p-tert-butyltoluene 42.8
    methyl 4-tert-butylbenzoate 156.83
    morpholine 884.49
    tert-butylamine 95.05
    n-dodecanol 31.83
    dimethoxymethane 615.97
    ethylene carbonate 207.43
    cyrene 202.74
    2-ethoxyethyl acetate 238.83
    2-ethylhexyl acetate 139.52
    1,2,4-trichlorobenzene 225.67
    4-methylpyridine 358.75
    dibutyl ether 121.2
    2,6-dimethyl-4-heptanol 57.81
    DEF 369.76
    dimethyl isosorbide 343.41
    tetrachloroethylene 448.32
    eugenol 176.51
    triacetin 257.66
    span 80 168.17
    1,4-butanediol 105.37
    1,1-dichloroethane 479.51
    2-methyl-1-pentanol 141.48
    methyl formate 276.99
    2-methyl-1-butanol 143.78
    n-decane 7.95
    butyronitrile 197.2
    3,7-dimethyl-1-octanol 76.6
    1-chlorooctane 44.39
    1-chlorotetradecane 20.61
    n-nonane 7.1
    undecane 6.34
    tert-butylcyclohexane 16.33
    cyclooctane 6.59
    cyclopentanol 123.15
    tetrahydropyran 579.32
    tert-amyl methyl ether 175.42
    2,5,8-trioxanonane 495.67
    1-hexene 75.34
    2-isopropoxyethanol 245.0
    2,2,2-trifluoroethanol 109.1
    methyl butyrate 274.89

    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
Carlina acaulis root Carlina acaulis L., fam. Asteraceae (Compositae) 97.2%