3,4,5,5-Tetramethyl-2-hexene

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  • Identifiers

    CAS number
    39083-38-0

    Molecular formula
    C10H20

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Woody 67.36%
    Herbal 56.84%
    Citrus 51.6%
    Terpenic 43.66%
    Pine 42.65%
    Fresh 39.85%
    Spicy 38.79%
    Camphoreous 38.12%
    Lemon 32.97%
    Dry 30.97%

     

    Flavor
    Woody 37.23%
    Citrus 32.95%
    Green 28.4%
    Camphor 23.75%
    Wood 21.99%
    Gasoline 21.63%
    Fresh 21.07%
    Floral 20.87%
    Diterpene 20.75%
    Styrene 20.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    11.15 (strong base)

    Molecular weight
    140.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    150°C

    Flash point

    • 32.36 ˚C est.

  • Synonyms

    • 39083-38-0
    • 3,4,5,5-Tetramethyl-2-hexene
    • RefChem:270512
    • 3,4,5,5-tetramethyl-hex-2-ene
    • SCHEMBL8534661
    • PSSMIMCIKZSQIG-UHFFFAOYSA-N
    • DTXSID701308761
    • 39083-38-0

  • Applications

    3,4,5,5-Tetramethyl-2-hexene (CAS 39083-38-0) is a branched alkene commonly viewed as an organic synthesis intermediate and a building block for related derivatives. In industrial manufacturing, it may be used as a reactive precursor for the synthesis of substituted alkenes and specialized polymers. It can function as a solvent or solvent component in formulations for coatings, inks, and adhesives. In fragrance and flavor chemistry, it is evaluated as an aroma intermediate or a potential fixative component. It may also be considered for use in cosmetics and personal care formulations as a fragrance-related component, subject to relevant regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 303.36
    methanol 189.53
    isopropanol 398.06
    water 0.33
    ethyl acetate 646.73
    n-propanol 387.99
    acetone 479.27
    n-butanol 524.74
    acetonitrile 309.91
    DMF 437.47
    toluene 824.97
    isobutanol 427.62
    1,4-dioxane 1053.08
    methyl acetate 503.74
    THF 1856.67
    2-butanone 683.07
    n-pentanol 375.62
    sec-butanol 556.44
    n-hexane 1271.28
    ethylene glycol 31.77
    NMP 726.82
    cyclohexane 1146.95
    DMSO 252.35
    n-butyl acetate 1173.33
    n-octanol 752.58
    chloroform 1195.13
    n-propyl acetate 444.61
    acetic acid 152.53
    dichloromethane 782.19
    cyclohexanone 1125.35
    propylene glycol 82.53
    isopropyl acetate 637.87
    DMAc 585.28
    2-ethoxyethanol 274.14
    isopentanol 594.62
    n-heptane 1450.38
    ethyl formate 239.01
    1,2-dichloroethane 625.63
    n-hexanol 1374.18
    2-methoxyethanol 341.51
    isobutyl acetate 472.68
    tetrachloromethane 500.55
    n-pentyl acetate 647.41
    transcutol 967.7
    n-heptanol 696.77
    ethylbenzene 599.38
    MIBK 647.49
    2-propoxyethanol 920.88
    tert-butanol 790.62
    MTBE 1470.89
    2-butoxyethanol 516.99
    propionic acid 218.54
    o-xylene 671.52
    formic acid 25.45
    diethyl ether 1111.79
    m-xylene 739.82
    p-xylene 714.9
    chlorobenzene 619.46
    dimethyl carbonate 187.97
    n-octane 507.85
    formamide 37.57
    cyclopentanone 1017.33
    2-pentanone 698.51
    anisole 648.55
    cyclopentyl methyl ether 1495.59
    gamma-butyrolactone 776.46
    1-methoxy-2-propanol 448.93
    pyridine 593.01
    3-pentanone 641.06
    furfural 512.58
    n-dodecane 281.6
    diethylene glycol 278.4
    diisopropyl ether 863.2
    tert-amyl alcohol 888.28
    acetylacetone 552.09
    n-hexadecane 317.33
    acetophenone 469.3
    methyl propionate 479.17
    isopentyl acetate 1198.13
    trichloroethylene 897.25
    n-nonanol 667.31
    cyclohexanol 793.24
    benzyl alcohol 295.69
    2-ethylhexanol 1327.81
    isooctanol 639.37
    dipropyl ether 1702.9
    1,2-dichlorobenzene 596.93
    ethyl lactate 200.57
    propylene carbonate 560.41
    n-methylformamide 143.5
    2-pentanol 618.64
    n-pentane 814.04
    1-propoxy-2-propanol 1026.25
    1-methoxy-2-propyl acetate 827.75
    2-(2-methoxypropoxy) propanol 548.52
    mesitylene 606.95
    ε-caprolactone 924.05
    p-cymene 704.21
    epichlorohydrin 840.36
    1,1,1-trichloroethane 1124.09
    2-aminoethanol 94.69
    morpholine-4-carbaldehyde 647.8
    sulfolane 849.17
    2,2,4-trimethylpentane 495.6
    2-methyltetrahydrofuran 1758.65
    n-hexyl acetate 1052.29
    isooctane 447.74
    2-(2-butoxyethoxy)ethanol 642.27
    sec-butyl acetate 500.69
    tert-butyl acetate 864.57
    decalin 641.2
    glycerin 89.34
    diglyme 959.42
    acrylic acid 135.66
    isopropyl myristate 586.75
    n-butyric acid 415.57
    acetyl acetate 386.63
    di(2-ethylhexyl) phthalate 338.54
    ethyl propionate 494.98
    nitromethane 228.75
    1,2-diethoxyethane 861.42
    benzonitrile 406.56
    trioctyl phosphate 330.65
    1-bromopropane 963.51
    gamma-valerolactone 899.45
    n-decanol 517.54
    triethyl phosphate 411.12
    4-methyl-2-pentanol 542.64
    propionitrile 442.07
    vinylene carbonate 389.09
    1,1,2-trichlorotrifluoroethane 393.61
    DMS 436.93
    cumene 517.28
    2-octanol 604.47
    2-hexanone 621.11
    octyl acetate 629.46
    limonene 1210.86
    1,2-dimethoxyethane 701.16
    ethyl orthosilicate 463.29
    tributyl phosphate 372.13
    diacetone alcohol 628.53
    N,N-dimethylaniline 543.55
    acrylonitrile 319.6
    aniline 454.91
    1,3-propanediol 166.15
    bromobenzene 779.06
    dibromomethane 778.79
    1,1,2,2-tetrachloroethane 944.86
    2-methyl-cyclohexyl acetate 829.07
    tetrabutyl urea 453.32
    diisobutyl methanol 797.67
    2-phenylethanol 606.41
    styrene 568.75
    dioctyl adipate 517.4
    dimethyl sulfate 238.08
    ethyl butyrate 802.88
    methyl lactate 179.59
    butyl lactate 378.47
    diethyl carbonate 483.68
    propanediol butyl ether 368.23
    triethyl orthoformate 706.52
    p-tert-butyltoluene 764.39
    methyl 4-tert-butylbenzoate 654.34
    morpholine 1023.47
    tert-butylamine 862.05
    n-dodecanol 430.18
    dimethoxymethane 471.74
    ethylene carbonate 381.57
    cyrene 384.23
    2-ethoxyethyl acetate 538.21
    2-ethylhexyl acetate 1164.49
    1,2,4-trichlorobenzene 636.65
    4-methylpyridine 818.99
    dibutyl ether 1221.6
    2,6-dimethyl-4-heptanol 797.67
    DEF 660.54
    dimethyl isosorbide 958.42
    tetrachloroethylene 605.23
    eugenol 441.66
    triacetin 545.47
    span 80 581.87
    1,4-butanediol 76.92
    1,1-dichloroethane 849.18
    2-methyl-1-pentanol 463.51
    methyl formate 119.49
    2-methyl-1-butanol 594.51
    n-decane 499.45
    butyronitrile 570.01
    3,7-dimethyl-1-octanol 851.61
    1-chlorooctane 870.86
    1-chlorotetradecane 401.95
    n-nonane 576.85
    undecane 356.09
    tert-butylcyclohexane 720.01
    cyclooctane 722.94
    cyclopentanol 626.51
    tetrahydropyran 1594.18
    tert-amyl methyl ether 1280.06
    2,5,8-trioxanonane 694.62
    1-hexene 1347.06
    2-isopropoxyethanol 325.06
    2,2,2-trifluoroethanol 61.96
    methyl butyrate 542.69

    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