2,4,4-Trimethyl-2-pentene

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  • Identifiers

    CAS number
    107-40-4

    Molecular formula
    C8H16

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 51.94%
    Camphoreous 46.39%
    Citrus 46.02%
    Fresh 42.71%
    Herbal 42.15%
    Terpenic 39.09%
    Pine 37.4%
    Lemon 33.29%
    Mint 32.12%
    Green 32.07%

     

    Flavor
    Green 36.02%
    Pungent 30.15%
    Citrus 29.04%
    Woody 27.7%
    Earthy 25.23%
    Camphor 24.15%
    Sweet 23.75%
    Gasoline 21.26%
    Styrene 20.75%
    Blackberry 20.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    11.01 (strong base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -106.3 °C
    • -106 °C

    Boiling point

    • 104.9 °C
    • 104 °C

    Flash point

    • 1.25 ˚C est.
    • 1.7 °C
    • 35 °F (2 °C) (OPEN CUP)
    • 1.7 °C o.c.

    Solubility expt.

    • Insoluble in water; soluble in ethyl ether, benzene, chloroform.
    • Solubility in water: none

  • Synonyms

    • 2,4,4-TRIMETHYL-2-PENTENE
    • 107-40-4
    • 2-Pentene, 2,4,4-trimethyl-
    • 2,2,4-Trimethyl-3-pentene
    • 2,4,4-Trimethylpentene-2
    • DTXSID9026766
    • 548R0DU21I
    • DTXCID206766
    • beta-Diisobutylene
    • RefChem:1059567
    • 203-488-5
    • 2,4,4-Trimethylpent-2-ene
    • MFCD00008902
    • HSDB 5377
    • -Diisobutylene
    • UNII-548R0DU21I
    • Propene, 1-tert-butyl-2-methyl-
    • EINECS 203-488-5
    • AI3-16047
    • .BETA.-DIISOBUTYLENE
    • SCHEMBL648959
    • SCHEMBL2485287
    • SCHEMBL7555816
    • SCHEMBL8777008
    • SCHEMBL8777009
    • CHEMBL3187575
    • (CH3)3CCH=C(CH3)2
    • Tox21_200795
    • SBB060469
    • 2,4,4-Trimethyl-2-pentene, 99%
    • AKOS015903732
    • NCGC00248835-01
    • NCGC00258349-01
    • CAS-107-40-4
    • LS-13497
    • NS00023459
    • ST51046646
    • T0780
    • D92393
    • Q1674518
    • InChI=1/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H
    • 107-40-4

  • Applications

    2,4,4-Trimethyl-2-pentene is used primarily as an organic synthesis intermediate and as an industrial solvent/diluent in a range of manufacturing and formulation processes. It can serve as a feedstock or building block for the production of branched hydrocarbons and other specialty chemicals. As a hydrocarbon solvent, it is employed as a component in coatings, inks, and cleaning formulations. In the field of polymers and plastics, it may be evaluated as a specialty monomer or modifier to tailor material properties. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 642.66
    methanol 597.76
    isopropanol 622.51
    water 1.9
    ethyl acetate 989.22
    n-propanol 681.53
    acetone 701.95
    n-butanol 903.36
    acetonitrile 449.08
    DMF 552.26
    toluene 939.33
    isobutanol 666.88
    1,4-dioxane 1276.92
    methyl acetate 759.15
    THF 2385.93
    2-butanone 891.38
    n-pentanol 618.09
    sec-butanol 875.56
    n-hexane 2233.12
    ethylene glycol 105.05
    NMP 1299.9
    cyclohexane 2375.01
    DMSO 351.1
    n-butyl acetate 1681.32
    n-octanol 1160.06
    chloroform 1396.54
    n-propyl acetate 634.47
    acetic acid 484.21
    dichloromethane 923.12
    cyclohexanone 1594.1
    propylene glycol 208.82
    isopropyl acetate 833.42
    DMAc 792.1
    2-ethoxyethanol 403.04
    isopentanol 902.82
    n-heptane 3042.43
    ethyl formate 411.44
    1,2-dichloroethane 696.41
    n-hexanol 2367.32
    2-methoxyethanol 608.92
    isobutyl acetate 568.99
    tetrachloromethane 589.46
    n-pentyl acetate 800.82
    transcutol 1188.79
    n-heptanol 921.97
    ethylbenzene 632.69
    MIBK 822.21
    2-propoxyethanol 1415.99
    tert-butanol 1045.7
    MTBE 1789.08
    2-butoxyethanol 665.33
    propionic acid 499.13
    o-xylene 754.02
    formic acid 121.43
    diethyl ether 1705.45
    m-xylene 878.49
    p-xylene 694.07
    chlorobenzene 676.94
    dimethyl carbonate 275.62
    n-octane 821.76
    formamide 98.66
    cyclopentanone 1316.57
    2-pentanone 967.11
    anisole 568.78
    cyclopentyl methyl ether 2336.85
    gamma-butyrolactone 1089.64
    1-methoxy-2-propanol 619.77
    pyridine 709.47
    3-pentanone 919.87
    furfural 661.25
    n-dodecane 489.59
    diethylene glycol 498.11
    diisopropyl ether 1135.47
    tert-amyl alcohol 1311.09
    acetylacetone 692.73
    n-hexadecane 533.83
    acetophenone 447.08
    methyl propionate 742.48
    isopentyl acetate 1599.47
    trichloroethylene 935.26
    n-nonanol 994.04
    cyclohexanol 1447.35
    benzyl alcohol 299.1
    2-ethylhexanol 2259.85
    isooctanol 783.55
    dipropyl ether 2442.34
    1,2-dichlorobenzene 555.79
    ethyl lactate 268.3
    propylene carbonate 809.01
    n-methylformamide 288.64
    2-pentanol 954.31
    n-pentane 1509.5
    1-propoxy-2-propanol 1465.38
    1-methoxy-2-propyl acetate 1131.62
    2-(2-methoxypropoxy) propanol 679.2
    mesitylene 757.04
    ε-caprolactone 1373.46
    p-cymene 858.78
    epichlorohydrin 988.54
    1,1,1-trichloroethane 1194.69
    2-aminoethanol 224.16
    morpholine-4-carbaldehyde 888.16
    sulfolane 1051.38
    2,2,4-trimethylpentane 873.09
    2-methyltetrahydrofuran 2509.39
    n-hexyl acetate 1447.58
    isooctane 775.13
    2-(2-butoxyethoxy)ethanol 812.17
    sec-butyl acetate 631.72
    tert-butyl acetate 1115.26
    decalin 1010.36
    glycerin 215.41
    diglyme 1080.4
    acrylic acid 328.6
    isopropyl myristate 729.31
    n-butyric acid 817.17
    acetyl acetate 589.71
    di(2-ethylhexyl) phthalate 418.53
    ethyl propionate 692.85
    nitromethane 481.92
    1,2-diethoxyethane 1035.91
    benzonitrile 408.85
    trioctyl phosphate 436.92
    1-bromopropane 1179.81
    gamma-valerolactone 1206.96
    n-decanol 751.13
    triethyl phosphate 494.06
    4-methyl-2-pentanol 738.16
    propionitrile 517.31
    vinylene carbonate 564.18
    1,1,2-trichlorotrifluoroethane 570.53
    DMS 620.44
    cumene 514.98
    2-octanol 776.77
    2-hexanone 764.68
    octyl acetate 860.56
    limonene 1762.72
    1,2-dimethoxyethane 855.41
    ethyl orthosilicate 556.62
    tributyl phosphate 510.12
    diacetone alcohol 775.6
    N,N-dimethylaniline 502.11
    acrylonitrile 371.28
    aniline 550.48
    1,3-propanediol 332.69
    bromobenzene 771.09
    dibromomethane 1023.57
    1,1,2,2-tetrachloroethane 966.79
    2-methyl-cyclohexyl acetate 1038.67
    tetrabutyl urea 633.08
    diisobutyl methanol 1104.43
    2-phenylethanol 662.39
    styrene 556.51
    dioctyl adipate 651.57
    dimethyl sulfate 317.38
    ethyl butyrate 1149.36
    methyl lactate 285.54
    butyl lactate 515.58
    diethyl carbonate 625.3
    propanediol butyl ether 511.02
    triethyl orthoformate 940.61
    p-tert-butyltoluene 884.06
    methyl 4-tert-butylbenzoate 705.81
    morpholine 1359.86
    tert-butylamine 1133.25
    n-dodecanol 606.99
    dimethoxymethane 662.73
    ethylene carbonate 588.85
    cyrene 429.84
    2-ethoxyethyl acetate 647.74
    2-ethylhexyl acetate 1599.56
    1,2,4-trichlorobenzene 589.43
    4-methylpyridine 931.52
    dibutyl ether 1654.57
    2,6-dimethyl-4-heptanol 1104.43
    DEF 993.98
    dimethyl isosorbide 1067.45
    tetrachloroethylene 696.26
    eugenol 482.31
    triacetin 724.01
    span 80 789.01
    1,4-butanediol 156.82
    1,1-dichloroethane 883.21
    2-methyl-1-pentanol 698.6
    methyl formate 254.11
    2-methyl-1-butanol 950.68
    n-decane 862.52
    butyronitrile 715.32
    3,7-dimethyl-1-octanol 1220.55
    1-chlorooctane 1269.86
    1-chlorotetradecane 523.44
    n-nonane 999.01
    undecane 622.74
    tert-butylcyclohexane 1107.48
    cyclooctane 1530.24
    cyclopentanol 1028.84
    tetrahydropyran 2369.54
    tert-amyl methyl ether 1781.82
    2,5,8-trioxanonane 810.74
    1-hexene 1939.32
    2-isopropoxyethanol 412.51
    2,2,2-trifluoroethanol 158.7
    methyl butyrate 777.63

    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