1-Hexene, 3,5,5-trimethyl-

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  • Identifiers

    CAS number
    4316-65-8

    Molecular formula
    C9H18

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Herbal 75.53%
    Citrus 61.36%
    Woody 57.87%
    Terpenic 46.79%
    Spicy 46.55%
    Fresh 42.73%
    Pine 42.34%
    Lemon 35.26%
    Green 35.03%
    Floral 34.44%

     

    Flavor
    Citrus 35.62%
    Woody 31.17%
    Green 27.67%
    Floral 26.54%
    Fresh 25.77%
    Delicate 21.43%
    Leathery 20.97%
    Yeasty 20.85%
    Diterpene 20.81%
    Glue 20.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.52 (weak base)

    Molecular weight
    126.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    122°C

    Flash point

    • 12.02 ˚C est.

  • Synonyms

    • 3,5,5-Trimethyl-1-hexene
    • 4316-65-8
    • 1-Hexene, 3,5,5-trimethyl-
    • 3,5,5Trimethyl1hexene
    • RefChem:433055
    • 630-996-8
    • InChI=1/C9H18/c1-6-8(2)7-9(3,4)5/h6,8H,1,7H2,2-5H
    • 3,5,5-trimethylhex-1-ene
    • MFCD00026333
    • C9H18
    • 3,5,5-Trimethylhexene-1
    • SCHEMBL74750
    • SCHEMBL9112854
    • DTXSID10863365
    • AKOS006228027
    • SY053902
    • NS00122665
    • T0779
    • T72472
    • 4316-65-8

  • Applications

    1-Hexene, 3,5,5-trimethyl- (CAS 4316-65-8) is an α-olefin used as a building block in organic synthesis. In industry, it commonly serves as a monomer or comonomer in polymerization to tailor polyolefin properties such as density, crystallinity and mechanical performance, and to produce branched specialty polymers. It also acts as a feedstock for synthetic lubricants and lubricant additives, and can function as a solvent or reaction diluent in industrial processes. Additionally, it can serve as a building block for preparing other olefin-derived specialty chemicals or intermediates, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.67
    methanol 89.62
    isopropanol 148.08
    water 0.15
    ethyl acetate 207.49
    n-propanol 149.36
    acetone 153.76
    n-butanol 212.08
    acetonitrile 73.18
    DMF 148.5
    toluene 255.28
    isobutanol 168.92
    1,4-dioxane 297.06
    methyl acetate 158.57
    THF 656.46
    2-butanone 228.94
    n-pentanol 158.37
    sec-butanol 221.27
    n-hexane 616.24
    ethylene glycol 21.44
    NMP 315.1
    cyclohexane 490.28
    DMSO 106.59
    n-butyl acetate 538.94
    n-octanol 365.22
    chloroform 345.86
    n-propyl acetate 161.46
    acetic acid 70.0
    dichloromethane 201.56
    cyclohexanone 426.54
    propylene glycol 57.33
    isopropyl acetate 224.77
    DMAc 227.97
    2-ethoxyethanol 104.04
    isopentanol 249.59
    n-heptane 969.05
    ethyl formate 77.16
    1,2-dichloroethane 163.35
    n-hexanol 763.29
    2-methoxyethanol 145.68
    isobutyl acetate 191.35
    tetrachloromethane 139.69
    n-pentyl acetate 252.76
    transcutol 473.84
    n-heptanol 320.91
    ethylbenzene 203.77
    MIBK 275.16
    2-propoxyethanol 449.99
    tert-butanol 306.98
    MTBE 575.46
    2-butoxyethanol 236.22
    propionic acid 95.98
    o-xylene 246.86
    formic acid 13.13
    diethyl ether 370.34
    m-xylene 287.55
    p-xylene 241.3
    chlorobenzene 193.9
    dimethyl carbonate 65.95
    n-octane 267.28
    formamide 12.12
    cyclopentanone 387.92
    2-pentanone 262.15
    anisole 218.89
    cyclopentyl methyl ether 618.77
    gamma-butyrolactone 276.82
    1-methoxy-2-propanol 200.01
    pyridine 167.8
    3-pentanone 252.85
    furfural 188.03
    n-dodecane 175.97
    diethylene glycol 168.56
    diisopropyl ether 338.26
    tert-amyl alcohol 400.44
    acetylacetone 198.24
    n-hexadecane 191.5
    acetophenone 167.47
    methyl propionate 176.76
    isopentyl acetate 598.57
    trichloroethylene 272.56
    n-nonanol 332.7
    cyclohexanol 351.27
    benzyl alcohol 99.76
    2-ethylhexanol 775.12
    isooctanol 305.48
    dipropyl ether 827.57
    1,2-dichlorobenzene 197.52
    ethyl lactate 97.77
    propylene carbonate 211.54
    n-methylformamide 51.59
    2-pentanol 252.53
    n-pentane 366.7
    1-propoxy-2-propanol 576.36
    1-methoxy-2-propyl acetate 424.51
    2-(2-methoxypropoxy) propanol 349.49
    mesitylene 272.02
    ε-caprolactone 342.88
    p-cymene 353.75
    epichlorohydrin 271.22
    1,1,1-trichloroethane 317.85
    2-aminoethanol 50.23
    morpholine-4-carbaldehyde 240.23
    sulfolane 351.2
    2,2,4-trimethylpentane 322.44
    2-methyltetrahydrofuran 644.19
    n-hexyl acetate 476.3
    isooctane 302.17
    2-(2-butoxyethoxy)ethanol 354.86
    sec-butyl acetate 198.23
    tert-butyl acetate 380.19
    decalin 341.2
    glycerin 65.85
    diglyme 437.65
    acrylic acid 59.12
    isopropyl myristate 295.11
    n-butyric acid 173.82
    acetyl acetate 131.3
    di(2-ethylhexyl) phthalate 197.94
    ethyl propionate 183.88
    nitromethane 76.5
    1,2-diethoxyethane 342.96
    benzonitrile 131.4
    trioctyl phosphate 200.52
    1-bromopropane 292.51
    gamma-valerolactone 329.64
    n-decanol 283.28
    triethyl phosphate 219.32
    4-methyl-2-pentanol 260.83
    propionitrile 127.24
    vinylene carbonate 133.96
    1,1,2-trichlorotrifluoroethane 168.46
    DMS 190.34
    cumene 207.1
    2-octanol 266.24
    2-hexanone 238.6
    octyl acetate 315.85
    limonene 672.28
    1,2-dimethoxyethane 257.57
    ethyl orthosilicate 242.0
    tributyl phosphate 219.94
    diacetone alcohol 307.72
    N,N-dimethylaniline 212.58
    acrylonitrile 90.56
    aniline 144.45
    1,3-propanediol 77.62
    bromobenzene 238.03
    dibromomethane 217.89
    1,1,2,2-tetrachloroethane 311.71
    2-methyl-cyclohexyl acetate 453.43
    tetrabutyl urea 267.79
    diisobutyl methanol 492.13
    2-phenylethanol 272.01
    styrene 174.88
    dioctyl adipate 281.3
    dimethyl sulfate 93.6
    ethyl butyrate 367.98
    methyl lactate 91.34
    butyl lactate 205.88
    diethyl carbonate 221.54
    propanediol butyl ether 232.9
    triethyl orthoformate 357.89
    p-tert-butyltoluene 407.34
    methyl 4-tert-butylbenzoate 324.67
    morpholine 298.47
    tert-butylamine 336.72
    n-dodecanol 252.02
    dimethoxymethane 167.05
    ethylene carbonate 132.79
    cyrene 201.17
    2-ethoxyethyl acetate 212.12
    2-ethylhexyl acetate 575.65
    1,2,4-trichlorobenzene 228.97
    4-methylpyridine 232.34
    dibutyl ether 570.12
    2,6-dimethyl-4-heptanol 492.13
    DEF 243.89
    dimethyl isosorbide 530.64
    tetrachloroethylene 190.55
    eugenol 227.61
    triacetin 273.66
    span 80 381.9
    1,4-butanediol 38.42
    1,1-dichloroethane 228.4
    2-methyl-1-pentanol 206.53
    methyl formate 43.86
    2-methyl-1-butanol 249.15
    n-decane 268.65
    butyronitrile 169.28
    3,7-dimethyl-1-octanol 499.97
    1-chlorooctane 414.51
    1-chlorotetradecane 222.36
    n-nonane 306.63
    undecane 213.39
    tert-butylcyclohexane 415.68
    cyclooctane 374.97
    cyclopentanol 266.76
    tetrahydropyran 532.91
    tert-amyl methyl ether 593.12
    2,5,8-trioxanonane 388.24
    1-hexene 526.95
    2-isopropoxyethanol 132.47
    2,2,2-trifluoroethanol 25.38
    methyl butyrate 206.1

    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