2(5H)-Furanone, 5-(4-hexen-2-ynylidene)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    23251-68-5

    Molecular formula
    C10H8O2

    SMILES
    CC=CC#CC=C1C=CC(=O)O1

    Safety labels

  • Odor profile

    Fragrance
    Spicy 63.43%
    Sweet 52.72%
    Cinnamon 35.28%
    Nutty 31.19%
    Herbal 30.26%
    Warm 29.1%
    Green 24.19%
    Roasted 24.09%
    Vegetable 18.57%
    Metallic 18.51%

     

    Flavor
    Bitter 56.99%
    Odorless 21.78%
    Nitrile 20.67%
    Oriental 19.26%
    Lovage 18.57%
    Basil 18.36%
    Taco 17.93%
    Bread crust 17.55%
    Fenugreek 17.4%
    Cedarleaf 17.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.21 (neutral)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 132.5 ˚C est.

  • Synonyms

    • 23251-68-5
    • 2(5H)-Furanone, 5-(4-hexen-2-ynylidene)-
    • NSC 101773
    • 5-hex-4-en-2-ynylidenefuran-2-one
    • DTXSID00876222
    • RefChem:80481
    • DTXCID301014330
    • 8NZ54ZJP9J
    • NSC-101773
    • UNII-8NZ54ZJP9J
    • 5-(4-Hexen-2-yn-1-ylidene)-2(5H)-furanone
    • 2(5H)-Furanone, 5-(4-hexen-2-yn-1-ylidene)-
    • 2,4,8-Decatrien-6-ynoic acid, 4-hydroxy-, gamma-lactone
    • 23251-68-5

  • Applications

    2(5H)-Furanone, 5-(4-hexen-2-ynylidene)- (CAS 23251-68-5) is primarily used as an intermediate in fragrance and specialty-chemical synthesis, providing a lactone-based scaffold for subsequent transformations. It may be employed as an odorant or fragrance ingredient in perfumery and cosmetics, and can appear in household products and cleaners as a scent-bearing additive. It is sometimes evaluated for use in coatings and inks to impart aroma, and serves as a chemical building block in industrial manufacturing for the synthesis of related aroma compounds or functionalized derivatives. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.39
    methanol 87.25
    isopropanol 42.87
    water 0.06
    ethyl acetate 108.61
    n-propanol 52.42
    acetone 259.61
    n-butanol 49.55
    acetonitrile 122.68
    DMF 708.96
    toluene 37.44
    isobutanol 37.7
    1,4-dioxane 159.17
    methyl acetate 151.61
    THF 255.08
    2-butanone 180.17
    n-pentanol 48.6
    sec-butanol 46.66
    n-hexane 2.81
    ethylene glycol 53.07
    NMP 465.1
    cyclohexane 1.98
    DMSO 944.15
    n-butyl acetate 91.71
    n-octanol 24.78
    chloroform 247.12
    n-propyl acetate 88.27
    acetic acid 121.57
    dichloromethane 281.75
    cyclohexanone 164.07
    propylene glycol 63.75
    isopropyl acetate 75.06
    DMAc 635.59
    2-ethoxyethanol 138.58
    isopentanol 53.95
    n-heptane 1.7
    ethyl formate 67.28
    1,2-dichloroethane 189.63
    n-hexanol 44.41
    2-methoxyethanol 238.48
    isobutyl acetate 61.23
    tetrachloromethane 13.44
    n-pentyl acetate 49.6
    transcutol 876.36
    n-heptanol 20.28
    ethylbenzene 31.92
    MIBK 85.22
    2-propoxyethanol 131.13
    tert-butanol 71.6
    MTBE 78.19
    2-butoxyethanol 70.49
    propionic acid 80.2
    o-xylene 30.06
    formic acid 60.06
    diethyl ether 65.6
    m-xylene 30.21
    p-xylene 39.01
    chlorobenzene 80.06
    dimethyl carbonate 102.35
    n-octane 0.97
    formamide 145.01
    cyclopentanone 270.56
    2-pentanone 123.1
    anisole 145.77
    cyclopentyl methyl ether 93.19
    gamma-butyrolactone 279.5
    1-methoxy-2-propanol 171.7
    pyridine 164.77
    3-pentanone 94.9
    furfural 299.11
    n-dodecane 1.73
    diethylene glycol 152.25
    diisopropyl ether 22.2
    tert-amyl alcohol 70.18
    acetylacetone 215.43
    n-hexadecane 2.04
    acetophenone 132.02
    methyl propionate 126.85
    isopentyl acetate 87.78
    trichloroethylene 420.14
    n-nonanol 23.62
    cyclohexanol 41.86
    benzyl alcohol 94.4
    2-ethylhexanol 31.99
    isooctanol 19.79
    dipropyl ether 35.81
    1,2-dichlorobenzene 87.98
    ethyl lactate 68.35
    propylene carbonate 131.98
    n-methylformamide 179.23
    2-pentanol 36.38
    n-pentane 1.61
    1-propoxy-2-propanol 91.96
    1-methoxy-2-propyl acetate 135.77
    2-(2-methoxypropoxy) propanol 159.56
    mesitylene 19.61
    ε-caprolactone 138.85
    p-cymene 20.6
    epichlorohydrin 337.12
    1,1,1-trichloroethane 106.0
    2-aminoethanol 73.76
    morpholine-4-carbaldehyde 376.18
    sulfolane 438.37
    2,2,4-trimethylpentane 3.1
    2-methyltetrahydrofuran 151.37
    n-hexyl acetate 88.83
    isooctane 2.36
    2-(2-butoxyethoxy)ethanol 182.06
    sec-butyl acetate 66.05
    tert-butyl acetate 103.93
    decalin 5.68
    glycerin 126.48
    diglyme 339.7
    acrylic acid 105.75
    isopropyl myristate 37.48
    n-butyric acid 81.63
    acetyl acetate 93.85
    di(2-ethylhexyl) phthalate 48.25
    ethyl propionate 84.24
    nitromethane 395.33
    1,2-diethoxyethane 128.46
    benzonitrile 102.84
    trioctyl phosphate 28.35
    1-bromopropane 65.61
    gamma-valerolactone 324.76
    n-decanol 18.65
    triethyl phosphate 48.74
    4-methyl-2-pentanol 29.32
    propionitrile 70.76
    vinylene carbonate 129.27
    1,1,2-trichlorotrifluoroethane 286.23
    DMS 142.96
    cumene 25.81
    2-octanol 14.94
    2-hexanone 96.52
    octyl acetate 45.48
    limonene 27.58
    1,2-dimethoxyethane 240.31
    ethyl orthosilicate 42.33
    tributyl phosphate 45.06
    diacetone alcohol 141.84
    N,N-dimethylaniline 90.3
    acrylonitrile 131.3
    aniline 80.63
    1,3-propanediol 80.69
    bromobenzene 82.66
    dibromomethane 145.91
    1,1,2,2-tetrachloroethane 297.84
    2-methyl-cyclohexyl acetate 70.28
    tetrabutyl urea 62.72
    diisobutyl methanol 21.58
    2-phenylethanol 75.24
    styrene 47.83
    dioctyl adipate 71.5
    dimethyl sulfate 247.75
    ethyl butyrate 70.95
    methyl lactate 109.67
    butyl lactate 60.4
    diethyl carbonate 61.83
    propanediol butyl ether 101.26
    triethyl orthoformate 53.63
    p-tert-butyltoluene 21.14
    methyl 4-tert-butylbenzoate 99.27
    morpholine 192.35
    tert-butylamine 36.26
    n-dodecanol 15.48
    dimethoxymethane 232.35
    ethylene carbonate 89.56
    cyrene 138.26
    2-ethoxyethyl acetate 112.55
    2-ethylhexyl acetate 66.87
    1,2,4-trichlorobenzene 125.86
    4-methylpyridine 164.97
    dibutyl ether 41.11
    2,6-dimethyl-4-heptanol 21.58
    DEF 166.82
    dimethyl isosorbide 203.19
    tetrachloroethylene 127.26
    eugenol 113.52
    triacetin 144.49
    span 80 98.36
    1,4-butanediol 38.52
    1,1-dichloroethane 129.6
    2-methyl-1-pentanol 55.82
    methyl formate 136.37
    2-methyl-1-butanol 50.39
    n-decane 2.18
    butyronitrile 66.75
    3,7-dimethyl-1-octanol 34.66
    1-chlorooctane 16.89
    1-chlorotetradecane 8.8
    n-nonane 1.84
    undecane 1.92
    tert-butylcyclohexane 5.86
    cyclooctane 0.89
    cyclopentanol 52.22
    tetrahydropyran 92.54
    tert-amyl methyl ether 69.24
    2,5,8-trioxanonane 249.34
    1-hexene 19.01
    2-isopropoxyethanol 100.2
    2,2,2-trifluoroethanol 53.28
    methyl butyrate 106.11

    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