Biisocrotyl

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  • Identifiers

    CAS number
    764-13-6

    Molecular formula
    C8H14

    SMILES
    CC(=CC=C(C)C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 66.38%
    Citrus 63.37%
    Terpenic 56.1%
    Lemon 55.58%
    Sweet 54.53%
    Fresh 53.53%
    Woody 50.64%
    Floral 45.13%
    Pine 39.76%
    Green 38.69%

     

    Flavor
    Citrus 49.0%
    Sweet 48.83%
    Green 41.49%
    Woody 28.86%
    Spicy 27.18%
    Balsam 26.93%
    Lemon 25.68%
    Dry 24.91%
    Nutty 24.77%
    Herbal 23.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    11.16 (strong base)

    Molecular weight
    110.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    131°C

    Flash point

    • 11.19 ˚C est.

  • Synonyms

    • 2,5-DIMETHYL-2,4-HEXADIENE
    • 764-13-6
    • Biisocrotyl
    • Biisobutenyl
    • Diisocrotyl
    • 2,5-Dimethylhexa-2,4-diene
    • 2,4-Hexadiene, 2,5-dimethyl-
    • NSC 10812
    • EINECS 212-115-5
    • EE5YRI32X6
    • AI3-26989
    • NSC-10812
    • DTXSID3022116
    • 1,1,4,4-TETRAMETHYLBUTA-1,3-DIENE
    • RefChem:568336
    • 2,5Dimethylhexa2,4diene
    • 2,4Hexadiene, 2,5dimethyl
    • DTXCID102116
    • InChI=1/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H
    • C8H14
    • MFCD00008904
    • UNII-EE5YRI32X6
    • 1,1,4,4-Tetramethylbuta-1,3-diene; Biisobutenyl; Biisocrotyl; Diisocrotyl; NSC 10812;
    • NSC10812
    • 2,4-diene
    • 2,5dimethyl-2,4-hexadiene
    • SCHEMBL134414
    • SCHEMBL1360589
    • 2,5-dimethyl-hexa-2,4-diene
    • SCHEMBL10627602
    • SCHEMBL11253917
    • CHEBI:88821
    • (CH3)2C=CHCH=C(CH3)2
    • SBB008758
    • 2,5-Dimethyl-2,4-hexadiene, 96%
    • AKOS009157108
    • LS-13467
    • D0735
    • NS00037782
    • A838694
    • F078040
    • 2,5-dimethyl-2,4-hexadiene (stabilized with bht)
    • Q27160797
    • F0001-1940
    • 764-13-6

  • Applications

    Biisocrotyl (CAS 764-13-6) is primarily used as an organic synthesis intermediate and as a reactive monomer/building block in polymer and coating formulations. In coatings, inks, and adhesives, it is commonly evaluated as a crosslinking/curing agent and as a reactive diluent, enabling improved mechanical and chemical resistance and tailored film properties. It can serve as a building block for specialty polymers and plastics, providing routes to higher-value materials through further functionalization. It may also function as an intermediate in the preparation of other fine chemicals, subject to formulation requirements and local regulatory limits. Users should verify compatibility with the intended formulation and comply with applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.49
    methanol 25.33
    isopropanol 63.73
    water 0.08
    ethyl acetate 133.44
    n-propanol 58.9
    acetone 129.89
    n-butanol 77.02
    acetonitrile 56.81
    DMF 187.18
    toluene 144.3
    isobutanol 67.4
    1,4-dioxane 184.72
    methyl acetate 132.41
    THF 383.62
    2-butanone 174.71
    n-pentanol 66.29
    sec-butanol 97.62
    n-hexane 227.2
    ethylene glycol 12.25
    NMP 294.53
    cyclohexane 194.18
    DMSO 99.17
    n-butyl acetate 239.73
    n-octanol 162.93
    chloroform 296.81
    n-propyl acetate 110.54
    acetic acid 37.84
    dichloromethane 176.63
    cyclohexanone 256.95
    propylene glycol 34.56
    isopropyl acetate 138.3
    DMAc 268.84
    2-ethoxyethanol 61.36
    isopentanol 91.02
    n-heptane 334.71
    ethyl formate 52.01
    1,2-dichloroethane 132.87
    n-hexanol 200.37
    2-methoxyethanol 78.0
    isobutyl acetate 124.53
    tetrachloromethane 93.85
    n-pentyl acetate 140.07
    transcutol 227.53
    n-heptanol 116.83
    ethylbenzene 161.86
    MIBK 163.81
    2-propoxyethanol 191.39
    tert-butanol 138.39
    MTBE 264.4
    2-butoxyethanol 113.55
    propionic acid 60.79
    o-xylene 166.81
    formic acid 5.97
    diethyl ether 154.18
    m-xylene 165.99
    p-xylene 196.59
    chlorobenzene 140.12
    dimethyl carbonate 69.93
    n-octane 136.2
    formamide 9.67
    cyclopentanone 336.37
    2-pentanone 166.0
    anisole 201.37
    cyclopentyl methyl ether 309.65
    gamma-butyrolactone 235.67
    1-methoxy-2-propanol 116.65
    pyridine 138.61
    3-pentanone 176.61
    furfural 170.04
    n-dodecane 107.16
    diethylene glycol 75.23
    diisopropyl ether 147.43
    tert-amyl alcohol 175.88
    acetylacetone 175.83
    n-hexadecane 118.73
    acetophenone 169.01
    methyl propionate 138.52
    isopentyl acetate 271.4
    trichloroethylene 257.56
    n-nonanol 159.37
    cyclohexanol 129.5
    benzyl alcohol 82.78
    2-ethylhexanol 244.5
    isooctanol 115.74
    dipropyl ether 357.79
    1,2-dichlorobenzene 155.86
    ethyl lactate 78.83
    propylene carbonate 172.6
    n-methylformamide 41.5
    2-pentanol 98.73
    n-pentane 120.27
    1-propoxy-2-propanol 257.13
    1-methoxy-2-propyl acetate 251.2
    2-(2-methoxypropoxy) propanol 228.28
    mesitylene 160.31
    ε-caprolactone 212.22
    p-cymene 222.97
    epichlorohydrin 205.36
    1,1,1-trichloroethane 287.26
    2-aminoethanol 25.79
    morpholine-4-carbaldehyde 202.46
    sulfolane 320.85
    2,2,4-trimethylpentane 119.16
    2-methyltetrahydrofuran 338.6
    n-hexyl acetate 268.32
    isooctane 112.31
    2-(2-butoxyethoxy)ethanol 186.27
    sec-butyl acetate 131.81
    tert-butyl acetate 228.95
    decalin 190.33
    glycerin 38.13
    diglyme 271.42
    acrylic acid 49.84
    isopropyl myristate 206.0
    n-butyric acid 87.03
    acetyl acetate 98.98
    di(2-ethylhexyl) phthalate 137.35
    ethyl propionate 140.06
    nitromethane 70.32
    1,2-diethoxyethane 177.2
    benzonitrile 105.66
    trioctyl phosphate 115.53
    1-bromopropane 178.48
    gamma-valerolactone 248.81
    n-decanol 140.74
    triethyl phosphate 171.52
    4-methyl-2-pentanol 95.0
    propionitrile 89.37
    vinylene carbonate 114.47
    1,1,2-trichlorotrifluoroethane 157.97
    DMS 173.68
    cumene 169.48
    2-octanol 113.94
    2-hexanone 167.52
    octyl acetate 209.88
    limonene 343.04
    1,2-dimethoxyethane 174.43
    ethyl orthosilicate 169.2
    tributyl phosphate 132.43
    diacetone alcohol 201.86
    N,N-dimethylaniline 223.53
    acrylonitrile 86.47
    aniline 98.78
    1,3-propanediol 35.45
    bromobenzene 189.03
    dibromomethane 166.3
    1,1,2,2-tetrachloroethane 291.26
    2-methyl-cyclohexyl acetate 275.94
    tetrabutyl urea 185.71
    diisobutyl methanol 215.08
    2-phenylethanol 151.81
    styrene 152.78
    dioctyl adipate 215.93
    dimethyl sulfate 111.96
    ethyl butyrate 218.59
    methyl lactate 84.38
    butyl lactate 123.13
    diethyl carbonate 155.54
    propanediol butyl ether 116.27
    triethyl orthoformate 201.45
    p-tert-butyltoluene 253.63
    methyl 4-tert-butylbenzoate 260.81
    morpholine 175.86
    tert-butylamine 131.0
    n-dodecanol 130.18
    dimethoxymethane 127.19
    ethylene carbonate 100.07
    cyrene 167.87
    2-ethoxyethyl acetate 132.05
    2-ethylhexyl acetate 267.43
    1,2,4-trichlorobenzene 206.52
    4-methylpyridine 179.86
    dibutyl ether 285.37
    2,6-dimethyl-4-heptanol 215.08
    DEF 180.86
    dimethyl isosorbide 391.57
    tetrachloroethylene 161.01
    eugenol 179.43
    triacetin 220.88
    span 80 231.91
    1,4-butanediol 21.29
    1,1-dichloroethane 198.49
    2-methyl-1-pentanol 88.57
    methyl formate 39.02
    2-methyl-1-butanol 95.0
    n-decane 149.04
    butyronitrile 90.48
    3,7-dimethyl-1-octanol 212.39
    1-chlorooctane 234.49
    1-chlorotetradecane 149.19
    n-nonane 165.98
    undecane 122.44
    tert-butylcyclohexane 215.77
    cyclooctane 158.79
    cyclopentanol 129.29
    tetrahydropyran 265.14
    tert-amyl methyl ether 282.25
    2,5,8-trioxanonane 261.18
    1-hexene 233.78
    2-isopropoxyethanol 78.66
    2,2,2-trifluoroethanol 20.66
    methyl butyrate 158.97

    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