2,3:4,5-Di(2-butenyl)tetrahydrofurfural

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  • Identifiers

    CAS number
    126-15-8

    Molecular formula
    C13H16O2

    SMILES
    C1C=CCC2C1C3CC=CCC3(O2)C=O

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 74.45%
    Green 64.33%
    Floral 53.5%
    Herbal 46.15%
    Woody 37.17%
    Aldehydic 33.73%
    Fresh 32.96%
    Spicy 31.94%
    Jasmin 31.74%
    Sweet 25.4%

     

    Flavor
    Bitter 53.62%
    Animal 23.55%
    Floral 23.53%
    Shrimp 23.29%
    Spicy 23.0%
    Alkaline 22.98%
    Amine 20.77%
    Cauliflower 20.4%
    Naphthalic 19.87%
    Cedarleaf 19.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.2 (neutral)

    Molecular weight
    204.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -80 °C

    Boiling point

    • 307 °C

    Flash point

    • 159.33 ˚C est.

    Solubility expt.

    • PRACTICALLY INSOL IN WATER & IN DILUTE ALKALI; MISCIBLE WITH PETROLEUM OILS, TOLUENE, XYLENE, ETHANOL

  • Synonyms

    • 126-15-8
    • Mgk repellent 11
    • Dibutylene tetrafurfural
    • 1,5a,6,9,9a,9b-Hexahydro-4a(4H)-dibenzofurancarboxaldehyde
    • 4a(4H)-Dibenzofurancarboxaldehyde, 1,5a,6,9,9a,9b-hexahydro-
    • Caswell No. 089
    • 2,3,4,5-Bis(2-butylene)tetrahydro-2-furaldehyde
    • MGK R-11
    • HSDB 5609
    • UNII-C62PHK07EV
    • 2,3,4,5-Bisbutylene tetrafurfural
    • EINECS 204-773-7
    • BRN 0011685
    • 2,3:4,5-DI(2-BUTENYL)TETRAHYDROFURFURAL
    • AI3-17596
    • Bis-delta(sup 2)-butylenetetrahydrofurfural
    • NSC-52965
    • 2,3,4,5-Bis(delta-2-butylene)tetrahydrofurfural
    • 2,3,4,5-Bis(delta(sup 2)-butylene)tetrahydrofurfural
    • 2,3,4,5-Bis(delta(sup 2)-butenylene)tetrahydrofurfural
    • DTXSID3041320
    • 4-17-00-05023 (Beilstein Handbook Reference)
    • Bis(.DELTA.2-butylene)tetrahydrofurfural
    • 2,3:4,5-Bis(2-butenylene)tetrahydrofurfural
    • 2,3,4,5-Bis(.DELTA.2)butylene)tetrahydrofurfural
    • 2,3,4,5-Bis(.DELTA.2-butylene)tetrahydrofurfural
    • 2,3,4,5-Bis(.DELTA.2)butenylene)tetrahydrofurfural
    • 2,3,4,5-Bis(.DELTA.2-butenylene)tetrahydrofurfural
    • 2,3,4,5-BIS(.DELTA.2-BUTENYLENE)TETRAHYDROFURFURA
    • 2,3:4,5-DI(2-BUTENYL)TETRAHYDROFURFURAL [HSDB]
    • Phillips R11
    • MGK Repellent R11
    • RefChem:81950
    • Butadienfurfural copolymer
    • Butadienefurfural copolymer
    • ACR11
    • MGK R11
    • 2,3,4,5-bis(delta(2)-butenylene)tetrahydrofurfural
    • DTXCID1021320
    • 2,3,4,5Bisbutylene tetrafurfural
    • Bis(DELTA2-butylene)tetrahydrofurfural
    • DIBUTYLENE TETRAFURFURAL [INCI]
    • Bisdelta(sup 2)butylenetetrahydrofurfural
    • 2,3,4,5Bis(2butylene tetrahydrofurfural)
    • 2,3:4,5Bis(2butylene)tetrahydro2furfural
    • 2,3,4,5Bis(2butylene)tetrahydro2furaldehyde
    • 2,3,4,5Bis(delta2butylene)tetrahydrofurfural
    • 2,3:4,5Bis(2butylene)tetrahydro2furaldehyde
    • 2,3:4,5Bis(2butene1,4diyl)tetrahydrofurfural
    • 2,3,4,5-Bis(DELTA2)butylene)tetrahydrofurfural
    • 2,3,4,5-Bis(delta2-butenylene)tetrahydrofurfural
    • 2,3,4,5-Bis(DELTA2-butylene)tetrahydrofurfural
    • 2Furaldehyde, 2,3:4,5bis(2butenylene)tetrahydro
    • 2,3,4,5-Bis(DELTA2)butenylene)tetrahydrofurfural
    • 2,3,4,5Bis(delta(sup 2)butylene)tetrahydrofurfural
    • 4aFormyl1,4,4a,5a,6,9,9a,9boctahydrodibenzofuran
    • 2,3,4,5Bis(delta(sup 2)butenylene)tetrahydrofurfural
    • 1,4,4a,5a,6,9,9a,9bOctahydrodibenzofuran4acarbaldehyde
    • 2,3,4,5-BIS(DELTA2-BUTENYLENE)TETRAHYDROFURFURA
    • 1,5a,6,9,9a,9bHexahydro4a(4H)dibenzofurancarboxaldehyde
    • 2,3,4,5-BIS(DELTA(2)-BUTYLENE)TETRAHYDROFURFURAL
    • 4a(4H)Dibenzofurancarboxaldehyde, 1,5a,6,9,9a,9bhexahydro
    • 2Furancarboxaldehyde, 2,3:4,5bis(2butene1,4diyl)tetrahydro
    • 204-773-7
    • XNYGOEGATLFFOX-UHFFFAOYSA-N
    • MGK 11
    • MGK Repellent II
    • Phillips r-11
    • MGK repellent R-11
    • R 11 (insect repellent)
    • Phillips repellent 11
    • Bisbutenylenetetrahydrofurfural
    • AC-R-11
    • R-11
    • 4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde
    • 2,3,4,5-Bis(2-butenylene)tetrahydrofurfural
    • ENT 17,596
    • NSC 52965
    • 2,3:4,5-Bis(2-butene-1,4-diyl)tetrahydrofurfural
    • Mgk11
    • 4a-Formyl-1,4,4a,5a,6,9,9a,9b-octahydrodibenzofuran
    • 2,3,4,5-Bis(2-butylene tetrahydrofurfural)
    • 2,3:4,5-Bis(2-butylene)tetrahydro-2-furfural
    • 2,3:4,5-Bis(2-butylene)tetrahydro-2-furaldehyde
    • C62PHK07EV
    • 2-Furaldehyde, 2,3:4,5-bis(2-butenylene)tetrahydro-
    • 2-Furancarboxaldehyde, 2,3:4,5-bis(2-butene-1,4-diyl)tetrahydro-
    • 1,4,4a,5a,6,9,9a,9b-Octahydrodibenzofuran-4a-carbaldehyde
    • R-11 (VAN)
    • SCHEMBL2032755
    • NSC52965
    • 2,5-Di(2-butenyl)tetrahydrofurfural
    • 4,5-Di(2-butenyl)tetrahydrofurfural
    • MFCD00059690
    • R-11 [MI]
    • AKOS015903623
    • WLN: T B656 HO DU KUTJ GVH
    • 2,4,5-Bis(2-butylene tetrahydrofurfural)
    • 2,4,5-Bis(2-butenylene)tetrahydrofurfural
    • NS00002553
    • Bis[.delta.(sup 2)butylene]tetrahydrofurfural
    • 2,5-Bis(2-butene-1,4-diyl)tetrahydrofurfural
    • 2,4,5-Bis(2-butylene)tetrahydro-2-furaldehyde
    • 2,4,5-Bis(.delta.-2-butylene)tetrahydrofurfural
    • 2,4,5-Bis(.DELTA.2-butylene)tetrahydrofurfural
    • 2,4,5-Bis(.DELTA.2-butenylene)tetrahydrofurfural
    • 2-Furaldehyde,3:4,5-bis(2-butenylene)tetrahydro-
    • 2,4,5-Bis[.delta.(sup 2)butylene]tetrahydrofurfural
    • 4a-Formyl-1,4a,5a,6,9,9a,9b-octahydrodibenzofuran
    • Q27275237
    • 2,4,5-Bis[.delta.(sup 2)butenylene]tetrahydrofurfural
    • 1,6,9,9a,9b-Hexahydro-4a(4H)-dibenzofurancarboxaldehyde
    • 4a(4H)-Dibenzofurancarboxaldehyde,5a,6,9,9a,9b-hexahydro-
    • 1,5a,6,9,9a,9b-Hexahydrodibenzo[b,d]furan-4a(4H)-carbaldehyde
    • 1,5a,6,9,9a,9b-Hexahydrodibenzo[b,d]furan-4a(4H)-carbaldehyde #
    • 2-Furancarboxaldehyde,3:4,5-bis(2-butene-1,4-diyl)tetrahydro-
    • 126-15-8

  • Applications

    2,3:4,5-Di(2-butenyl)tetrahydrofurfural is a renewable platform chemical derivative with two allyl substituents on a tetrahydrofuran core, enabling it to act as an intermediate for polymer and resin synthesis. It may be used as a functional monomer for polyesters, polyurethanes, and epoxies, providing sites for crosslinking via the allyl groups. It can serve as a component in UV-curable coatings and inks as a crosslinkable monomer or additive. It may also be pursued as a fragrance/flavor intermediate or precursor to aroma compounds, and as a scaffold for developing specialty chemicals and materials applicable in electronics packaging and high-performance coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.68
    methanol 60.41
    isopropanol 34.05
    water 3.3
    ethyl acetate 76.86
    n-propanol 42.81
    acetone 91.47
    n-butanol 41.05
    acetonitrile 75.47
    DMF 170.28
    toluene 106.13
    isobutanol 36.59
    1,4-dioxane 155.77
    methyl acetate 92.71
    THF 181.24
    2-butanone 98.1
    n-pentanol 33.16
    sec-butanol 27.66
    n-hexane 3.57
    ethylene glycol 30.52
    NMP 185.61
    cyclohexane 15.38
    DMSO 169.55
    n-butyl acetate 68.96
    n-octanol 35.76
    chloroform 447.36
    n-propyl acetate 68.78
    acetic acid 70.39
    dichloromethane 465.17
    cyclohexanone 190.79
    propylene glycol 22.32
    isopropyl acetate 59.26
    DMAc 153.76
    2-ethoxyethanol 70.0
    isopentanol 41.87
    n-heptane 7.54
    ethyl formate 93.05
    1,2-dichloroethane 223.12
    n-hexanol 45.88
    2-methoxyethanol 96.79
    isobutyl acetate 54.27
    tetrachloromethane 67.14
    n-pentyl acetate 60.41
    transcutol 204.1
    n-heptanol 37.44
    ethylbenzene 56.59
    MIBK 65.56
    2-propoxyethanol 90.95
    tert-butanol 34.36
    MTBE 26.41
    2-butoxyethanol 72.53
    propionic acid 73.68
    o-xylene 72.78
    formic acid 34.68
    diethyl ether 39.12
    m-xylene 76.87
    p-xylene 72.81
    chlorobenzene 163.66
    dimethyl carbonate 62.95
    n-octane 5.81
    formamide 62.4
    cyclopentanone 207.38
    2-pentanone 75.25
    anisole 88.43
    cyclopentyl methyl ether 85.39
    gamma-butyrolactone 239.67
    1-methoxy-2-propanol 74.4
    pyridine 211.4
    3-pentanone 75.47
    furfural 240.73
    n-dodecane 7.92
    diethylene glycol 92.91
    diisopropyl ether 21.24
    tert-amyl alcohol 26.2
    acetylacetone 111.05
    n-hexadecane 9.1
    acetophenone 113.21
    methyl propionate 76.94
    isopentyl acetate 69.37
    trichloroethylene 400.65
    n-nonanol 36.01
    cyclohexanol 55.7
    benzyl alcohol 84.38
    2-ethylhexanol 39.18
    isooctanol 35.45
    dipropyl ether 36.8
    1,2-dichlorobenzene 156.88
    ethyl lactate 55.7
    propylene carbonate 160.32
    n-methylformamide 90.82
    2-pentanol 26.51
    n-pentane 5.36
    1-propoxy-2-propanol 62.22
    1-methoxy-2-propyl acetate 85.75
    2-(2-methoxypropoxy) propanol 82.32
    mesitylene 54.01
    ε-caprolactone 155.41
    p-cymene 45.65
    epichlorohydrin 234.11
    1,1,1-trichloroethane 162.4
    2-aminoethanol 37.41
    morpholine-4-carbaldehyde 203.35
    sulfolane 244.03
    2,2,4-trimethylpentane 5.14
    2-methyltetrahydrofuran 97.94
    n-hexyl acetate 76.69
    isooctane 5.67
    2-(2-butoxyethoxy)ethanol 95.94
    sec-butyl acetate 51.56
    tert-butyl acetate 57.34
    decalin 13.12
    glycerin 48.96
    diglyme 175.01
    acrylic acid 84.18
    isopropyl myristate 44.69
    n-butyric acid 87.02
    acetyl acetate 75.28
    di(2-ethylhexyl) phthalate 53.45
    ethyl propionate 64.33
    nitromethane 133.69
    1,2-diethoxyethane 74.71
    benzonitrile 147.29
    trioctyl phosphate 39.13
    1-bromopropane 90.95
    gamma-valerolactone 222.89
    n-decanol 30.07
    triethyl phosphate 50.56
    4-methyl-2-pentanol 27.69
    propionitrile 83.54
    vinylene carbonate 175.36
    1,1,2-trichlorotrifluoroethane 137.54
    DMS 90.16
    cumene 44.93
    2-octanol 26.93
    2-hexanone 62.28
    octyl acetate 50.44
    limonene 48.28
    1,2-dimethoxyethane 116.88
    ethyl orthosilicate 44.79
    tributyl phosphate 43.69
    diacetone alcohol 63.86
    N,N-dimethylaniline 66.43
    acrylonitrile 119.87
    aniline 96.5
    1,3-propanediol 50.68
    bromobenzene 187.05
    dibromomethane 266.07
    1,1,2,2-tetrachloroethane 256.89
    2-methyl-cyclohexyl acetate 69.54
    tetrabutyl urea 56.34
    diisobutyl methanol 30.94
    2-phenylethanol 83.87
    styrene 67.18
    dioctyl adipate 65.66
    dimethyl sulfate 97.07
    ethyl butyrate 68.51
    methyl lactate 59.86
    butyl lactate 58.05
    diethyl carbonate 60.9
    propanediol butyl ether 56.1
    triethyl orthoformate 54.28
    p-tert-butyltoluene 39.43
    methyl 4-tert-butylbenzoate 93.39
    morpholine 127.36
    tert-butylamine 24.88
    n-dodecanol 26.44
    dimethoxymethane 106.15
    ethylene carbonate 141.86
    cyrene 97.66
    2-ethoxyethyl acetate 83.14
    2-ethylhexyl acetate 59.36
    1,2,4-trichlorobenzene 170.49
    4-methylpyridine 162.02
    dibutyl ether 37.35
    2,6-dimethyl-4-heptanol 30.94
    DEF 95.75
    dimethyl isosorbide 138.84
    tetrachloroethylene 186.96
    eugenol 94.07
    triacetin 96.08
    span 80 67.75
    1,4-butanediol 30.89
    1,1-dichloroethane 166.2
    2-methyl-1-pentanol 36.37
    methyl formate 90.71
    2-methyl-1-butanol 36.7
    n-decane 10.46
    butyronitrile 76.28
    3,7-dimethyl-1-octanol 39.43
    1-chlorooctane 33.81
    1-chlorotetradecane 20.11
    n-nonane 8.8
    undecane 8.92
    tert-butylcyclohexane 9.79
    cyclooctane 7.8
    cyclopentanol 62.81
    tetrahydropyran 101.06
    tert-amyl methyl ether 25.79
    2,5,8-trioxanonane 129.9
    1-hexene 15.4
    2-isopropoxyethanol 55.26
    2,2,2-trifluoroethanol 58.34
    methyl butyrate 82.66

    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