2(3H)-Furanone, 5-(1,3-dimethyl-1-buten-1-yl)dihydro-

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  • Identifiers

    CAS number
    67800-85-5

    Molecular formula
    C10H16O2

    SMILES
    CC(C)C=C(C)C1CCC(=O)O1

    Safety labels

  • Odor profile

    Fragrance
    Herbal 58.86%
    Spicy 49.79%
    Sweet 48.72%
    Mint 48.17%
    Woody 47.64%
    Floral 34.92%
    Lactonic 33.71%
    Tobacco 32.96%
    Celery 32.49%
    Fruity 31.2%

     

    Flavor
    Herbal 53.09%
    Minty 44.69%
    Spice 37.89%
    Green 30.69%
    Woody 29.5%
    Spicy 29.26%
    Mint 29.0%
    Celery 27.58%
    Fresh 26.49%
    Herb 22.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.4 (weak base)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    260°C

    Flash point

    • 96.47 ˚C est.

  • Synonyms

    • 67800-85-5
    • 2(3H)-Furanone, 5-(1,3-dimethyl-1-butenyl)dihydro-
    • 2(3H)-Furanone, 5-(1,3-dimethyl-1-buten-1-yl)dihydro-
    • DTXSID90886890
    • EINECS 267-110-0
    • 5-(1,3-Dimethylbut-1-enyl)furan-2-one
    • RefChem:439870
    • DTXCID001026207
    • 5-(1,3-Dimethyl-1-butenyl)dihydrofuran-2(3H)-one
    • 342L8H2WGX
    • FXCKJKMSFIQXFM-UHFFFAOYSA-N
    • 5-(4-methylpent-2-en-2-yl)oxolan-2-one
    • NS00054899
    • 67800-85-5

  • Applications

    2(3H)-Furanone, 5-(1,3-dimethyl-1-buten-1-yl)dihydro-, CAS 67800-85-5 is typically used as an intermediate and odor-active component in fragrance chemistry; in perfumery and flavor sectors it is considered a building block or precursor for aroma compounds; in cosmetics and personal care as well as household products it can serve as a fragrance ingredient or basis for scent-related formulations; in industrial manufacturing and coatings/inks it can function as a building block for specialty polymers or resins; its lactone functionality may enable use as a reactive intermediate in some formulations; usage depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 849.2
    methanol 1139.54
    isopropanol 686.98
    water 1.4
    ethyl acetate 469.8
    n-propanol 651.28
    acetone 755.11
    n-butanol 689.13
    acetonitrile 563.66
    DMF 882.99
    toluene 420.95
    isobutanol 560.4
    1,4-dioxane 747.59
    methyl acetate 478.16
    THF 1098.82
    2-butanone 636.59
    n-pentanol 514.06
    sec-butanol 602.4
    n-hexane 109.36
    ethylene glycol 198.08
    NMP 807.57
    cyclohexane 99.53
    DMSO 917.68
    n-butyl acetate 481.16
    n-octanol 266.68
    chloroform 1760.41
    n-propyl acetate 319.49
    acetic acid 583.36
    dichloromethane 1442.15
    cyclohexanone 778.03
    propylene glycol 292.55
    isopropyl acetate 337.7
    DMAc 765.92
    2-ethoxyethanol 518.06
    isopentanol 699.84
    n-heptane 38.47
    ethyl formate 350.29
    1,2-dichloroethane 788.34
    n-hexanol 604.02
    2-methoxyethanol 796.32
    isobutyl acetate 239.57
    tetrachloromethane 285.36
    n-pentyl acetate 284.24
    transcutol 1703.38
    n-heptanol 229.16
    ethylbenzene 242.85
    MIBK 395.06
    2-propoxyethanol 720.15
    tert-butanol 761.57
    MTBE 695.95
    2-butoxyethanol 374.89
    propionic acid 431.89
    o-xylene 267.39
    formic acid 258.28
    diethyl ether 566.93
    m-xylene 308.05
    p-xylene 280.9
    chlorobenzene 532.98
    dimethyl carbonate 184.8
    n-octane 17.74
    formamide 268.77
    cyclopentanone 792.85
    2-pentanone 576.24
    anisole 428.88
    cyclopentyl methyl ether 571.63
    gamma-butyrolactone 782.97
    1-methoxy-2-propanol 650.48
    pyridine 639.98
    3-pentanone 387.53
    furfural 744.75
    n-dodecane 15.66
    diethylene glycol 503.56
    diisopropyl ether 186.96
    tert-amyl alcohol 653.16
    acetylacetone 476.93
    n-hexadecane 18.23
    acetophenone 387.78
    methyl propionate 364.02
    isopentyl acetate 440.57
    trichloroethylene 1463.29
    n-nonanol 211.02
    cyclohexanol 543.95
    benzyl alcohol 382.96
    2-ethylhexanol 306.37
    isooctanol 190.66
    dipropyl ether 233.95
    1,2-dichlorobenzene 471.37
    ethyl lactate 182.7
    propylene carbonate 494.29
    n-methylformamide 450.37
    2-pentanol 467.16
    n-pentane 90.16
    1-propoxy-2-propanol 471.74
    1-methoxy-2-propyl acetate 401.82
    2-(2-methoxypropoxy) propanol 372.11
    mesitylene 190.95
    ε-caprolactone 659.82
    p-cymene 137.35
    epichlorohydrin 982.08
    1,1,1-trichloroethane 829.82
    2-aminoethanol 385.9
    morpholine-4-carbaldehyde 790.7
    sulfolane 870.75
    2,2,4-trimethylpentane 54.2
    2-methyltetrahydrofuran 910.58
    n-hexyl acetate 472.84
    isooctane 45.86
    2-(2-butoxyethoxy)ethanol 532.13
    sec-butyl acetate 254.32
    tert-butyl acetate 377.11
    decalin 70.3
    glycerin 345.52
    diglyme 778.64
    acrylic acid 383.47
    isopropyl myristate 147.12
    n-butyric acid 576.23
    acetyl acetate 290.92
    di(2-ethylhexyl) phthalate 183.51
    ethyl propionate 268.17
    nitromethane 627.61
    1,2-diethoxyethane 486.96
    benzonitrile 490.62
    trioctyl phosphate 119.46
    1-bromopropane 620.1
    gamma-valerolactone 888.23
    n-decanol 144.83
    triethyl phosphate 138.32
    4-methyl-2-pentanol 291.71
    propionitrile 477.64
    vinylene carbonate 473.66
    1,1,2-trichlorotrifluoroethane 679.45
    DMS 323.59
    cumene 172.74
    2-octanol 167.76
    2-hexanone 420.63
    octyl acetate 198.47
    limonene 199.48
    1,2-dimethoxyethane 692.07
    ethyl orthosilicate 140.59
    tributyl phosphate 158.97
    diacetone alcohol 450.06
    N,N-dimethylaniline 302.17
    acrylonitrile 525.77
    aniline 476.15
    1,3-propanediol 499.29
    bromobenzene 570.83
    dibromomethane 995.92
    1,1,2,2-tetrachloroethane 1180.29
    2-methyl-cyclohexyl acetate 249.09
    tetrabutyl urea 193.33
    diisobutyl methanol 156.45
    2-phenylethanol 391.4
    styrene 296.67
    dioctyl adipate 204.24
    dimethyl sulfate 295.61
    ethyl butyrate 255.87
    methyl lactate 228.58
    butyl lactate 261.24
    diethyl carbonate 180.16
    propanediol butyl ether 453.16
    triethyl orthoformate 185.95
    p-tert-butyltoluene 137.11
    methyl 4-tert-butylbenzoate 303.8
    morpholine 890.5
    tert-butylamine 533.96
    n-dodecanol 102.71
    dimethoxymethane 518.42
    ethylene carbonate 394.25
    cyrene 320.23
    2-ethoxyethyl acetate 378.26
    2-ethylhexyl acetate 349.35
    1,2,4-trichlorobenzene 583.15
    4-methylpyridine 818.43
    dibutyl ether 246.67
    2,6-dimethyl-4-heptanol 156.45
    DEF 524.02
    dimethyl isosorbide 502.44
    tetrachloroethylene 741.52
    eugenol 321.69
    triacetin 348.39
    span 80 320.22
    1,4-butanediol 259.47
    1,1-dichloroethane 938.7
    2-methyl-1-pentanol 516.69
    methyl formate 328.5
    2-methyl-1-butanol 608.91
    n-decane 28.33
    butyronitrile 593.3
    3,7-dimethyl-1-octanol 275.14
    1-chlorooctane 157.91
    1-chlorotetradecane 55.56
    n-nonane 27.36
    undecane 20.21
    tert-butylcyclohexane 71.97
    cyclooctane 36.63
    cyclopentanol 507.26
    tetrahydropyran 804.83
    tert-amyl methyl ether 482.11
    2,5,8-trioxanonane 519.27
    1-hexene 353.07
    2-isopropoxyethanol 392.35
    2,2,2-trifluoroethanol 202.36
    methyl butyrate 364.0

    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