1-Hexene

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  • Identifiers

    CAS number
    592-41-6

    Molecular formula
    C6H12

    SMILES
    CCCCC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Gassy 61.46%
    Green 31.03%
    Fruity 27.68%
    Fresh 26.44%
    Ethereal 25.89%
    Citrus 25.1%
    Pungent 24.65%
    Herbal 23.95%
    Sweet 21.7%
    Fishy 20.35%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    84.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -219.6 °F (USCG, 1999)
    • -139.7 °C
    • -140 °C
    • -219.6 °F

    Boiling point

    • 146.3 °F at 760 mmHg (USCG, 1999)
    • 63.4 °C @ 760 mm Hg
    • 63 °C
    • 146.3 °

    Flash point est.
    -25.29 ˚C

    Flash point expt.

    • -15 °F (USCG, 1999)
    • BELOW 20 °F (BELOW -7 °C) (CLOSED CUP)
    • -26 °C c.c.
    • -15 °F

    Solubility expt.

    • Very sol in ethanol, ethyl ether, benzene, and petroleum ether
    • In water, 50 mg/l at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.005

  • Synonyms

    • 1-HEXENE
    • Hex-1-ene
    • 592-41-6
    • Hexene
    • Hexene-1
    • 1-n-Hexene
    • Butylethylene
    • Hexylene
    • Butyl ethylene
    • Dialene 6
    • n-Hexene
    • Linealene 6
    • Hexene, 1-
    • NSC 74121
    • HSDB 1079
    • EINECS 209-753-1
    • UNII-B38ZZ8C206
    • DTXSID4025402
    • CHEBI:24579
    • AI3-28797
    • B38ZZ8C206
    • NSC-74121
    • DTXCID105402
    • EC 209-753-1
    • 1-Hexene, 97%
    • alpha-hexene
    • 26746-82-7
    • C6
    • Alkenes, C6-7 alpha-
    • Alkenes, C6-9 alpha-
    • UN2370
    • hexacarbene
    • 5-hexenyl
    • 5-hexene
    • EINECS 271-244-5
    • EINECS 272-188-4
    • Neodene 6 XHP
    • MFCD00009505
    • .ALPHA.-HEXENE
    • 1-HEXENE [HSDB]
    • 1-Hexene, >=99%
    • 1-Hexene, 98.5%
    • 1(OR 2)-HEXENE
    • 2(OR 3)-HEXENE
    • 1-Hexene, analytical standard
    • CHEMBL1548726
    • DTXSID201318600
    • NSC74121
    • Tox21_200723
    • STL453688
    • AKOS009031382
    • 1-C6H12
    • UN 2370
    • 1-Hexene, purum, >=96.0% (GC)
    • NCGC00091703-01
    • NCGC00091703-02
    • NCGC00258277-01
    • CAS-592-41-6
    • 1-Hexene [UN2370] [Flammable liquid]
    • DB-053346
    • H0121
    • NS00006752
    • S0336
    • A832221
    • Q161637
    • InChI=1/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H
    • 16183-00-9
    • 209-753-1
    • 542-41-6

  • Applications

    1‑Hexene (CAS 592‑41‑6) is used primarily as a comonomer in polyethylene manufacture (notably LLDPE and HDPE) to tune density and crystallinity, thereby improving toughness, impact strength, heat‑sealability, clarity, and mechanical performance of films, pipes, and packaging; it also serves as a key linear alpha‑olefin feedstock for transformations such as oligomerization, hydroformylation (to heptanal/heptanol), oxidation/epoxidation, hydrosilylation, metathesis, and hydroboration–oxidation to produce straight‑chain alcohols and acids for surfactants and plasticizers, higher olefins and polyalphaolefins for lubricant base stocks and additives, and epoxy/silane derivatives for adhesives and surface treatments; additionally, it is used as a reference/calibration compound in gas chromatography and as a model substrate in catalysis studies of polymerization, isomerization, and olefin functionalization.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 477.0
    methanol 268.85
    isopropanol 541.49
    water 0.04
    ethyl acetate 574.44
    n-propanol 510.16
    acetone 595.24
    n-butanol 709.0
    acetonitrile 302.33
    DMF 320.5
    toluene 334.47
    isobutanol 445.31
    1,4-dioxane 805.25
    methyl acetate 390.58
    THF 1612.48
    2-butanone 628.93
    n-pentanol 454.44
    sec-butanol 623.75
    n-hexane 858.22
    ethylene glycol 40.55
    NMP 387.6
    cyclohexane 732.96
    DMSO 568.46
    n-butyl acetate 1628.56
    n-octanol 368.57
    chloroform 971.41
    n-propyl acetate 456.92
    acetic acid 224.71
    dichloromethane 820.62
    cyclohexanone 887.41
    propylene glycol 94.12
    isopropyl acetate 406.79
    DMAc 234.62
    2-ethoxyethanol 298.67
    isopentanol 664.92
    n-heptane 1303.76
    ethyl formate 233.67
    1,2-dichloroethane 578.28
    n-hexanol 1404.92
    2-methoxyethanol 428.5
    isobutyl acetate 320.02
    tetrachloromethane 332.76
    n-pentyl acetate 421.44
    transcutol 1132.37
    n-heptanol 408.59
    ethylbenzene 201.75
    MIBK 431.83
    2-propoxyethanol 952.02
    tert-butanol 819.18
    MTBE 993.81
    2-butoxyethanol 395.54
    propionic acid 266.18
    o-xylene 198.41
    formic acid 24.64
    diethyl ether 975.32
    m-xylene 245.56
    p-xylene 232.85
    chlorobenzene 331.42
    dimethyl carbonate 77.17
    n-octane 277.52
    formamide 31.02
    cyclopentanone 850.65
    2-pentanone 652.46
    anisole 246.99
    cyclopentyl methyl ether 856.41
    gamma-butyrolactone 623.65
    1-methoxy-2-propanol 460.73
    pyridine 536.98
    3-pentanone 418.22
    furfural 391.42
    n-dodecane 126.08
    diethylene glycol 314.87
    diisopropyl ether 406.22
    tert-amyl alcohol 728.87
    acetylacetone 426.07
    n-hexadecane 139.91
    acetophenone 190.42
    methyl propionate 320.37
    isopentyl acetate 1107.65
    trichloroethylene 735.72
    n-nonanol 333.14
    cyclohexanol 635.18
    benzyl alcohol 161.26
    2-ethylhexanol 1166.21
    isooctanol 346.79
    dipropyl ether 1692.7
    1,2-dichlorobenzene 269.06
    ethyl lactate 129.01
    propylene carbonate 381.5
    n-methylformamide 135.28
    2-pentanol 617.36
    n-pentane 615.88
    1-propoxy-2-propanol 1088.92
    1-methoxy-2-propyl acetate 613.67
    2-(2-methoxypropoxy) propanol 326.96
    mesitylene 187.41
    ε-caprolactone 626.98
    p-cymene 326.23
    epichlorohydrin 702.75
    1,1,1-trichloroethane 729.54
    2-aminoethanol 111.69
    morpholine-4-carbaldehyde 367.34
    sulfolane 656.27
    2,2,4-trimethylpentane 208.93
    2-methyltetrahydrofuran 1411.58
    n-hexyl acetate 547.48
    isooctane 218.94
    2-(2-butoxyethoxy)ethanol 466.62
    sec-butyl acetate 306.31
    tert-butyl acetate 491.89
    decalin 237.99
    glycerin 99.57
    diglyme 757.38
    acrylic acid 150.2
    isopropyl myristate 262.42
    n-butyric acid 594.65
    acetyl acetate 249.22
    di(2-ethylhexyl) phthalate 156.57
    ethyl propionate 332.17
    nitromethane 269.17
    1,2-diethoxyethane 928.14
    benzonitrile 272.16
    trioctyl phosphate 159.07
    1-bromopropane 1024.15
    gamma-valerolactone 672.3
    n-decanol 269.62
    triethyl phosphate 217.9
    4-methyl-2-pentanol 362.63
    propionitrile 421.53
    vinylene carbonate 253.42
    1,1,2-trichlorotrifluoroethane 330.54
    DMS 195.48
    cumene 154.46
    2-octanol 299.6
    2-hexanone 580.42
    octyl acetate 293.92
    limonene 684.37
    1,2-dimethoxyethane 728.4
    ethyl orthosilicate 258.07
    tributyl phosphate 200.68
    diacetone alcohol 425.3
    N,N-dimethylaniline 177.61
    acrylonitrile 299.07
    aniline 256.01
    1,3-propanediol 226.66
    bromobenzene 407.48
    dibromomethane 881.59
    1,1,2,2-tetrachloroethane 648.15
    2-methyl-cyclohexyl acetate 459.76
    tetrabutyl urea 246.7
    diisobutyl methanol 548.9
    2-phenylethanol 365.35
    styrene 236.06
    dioctyl adipate 266.23
    dimethyl sulfate 107.73
    ethyl butyrate 876.6
    methyl lactate 111.71
    butyl lactate 254.77
    diethyl carbonate 405.3
    propanediol butyl ether 280.6
    triethyl orthoformate 564.09
    p-tert-butyltoluene 328.17
    methyl 4-tert-butylbenzoate 226.35
    morpholine 922.91
    tert-butylamine 741.49
    n-dodecanol 230.2
    dimethoxymethane 345.85
    ethylene carbonate 254.37
    cyrene 178.18
    2-ethoxyethyl acetate 361.92
    2-ethylhexyl acetate 996.13
    1,2,4-trichlorobenzene 288.72
    4-methylpyridine 528.67
    dibutyl ether 919.08
    2,6-dimethyl-4-heptanol 548.9
    DEF 443.44
    dimethyl isosorbide 527.43
    tetrachloroethylene 447.84
    eugenol 204.76
    triacetin 268.17
    span 80 393.63
    1,4-butanediol 82.41
    1,1-dichloroethane 729.9
    2-methyl-1-pentanol 434.42
    methyl formate 96.2
    2-methyl-1-butanol 577.9
    n-decane 229.21
    butyronitrile 661.48
    3,7-dimethyl-1-octanol 476.64
    1-chlorooctane 416.93
    1-chlorotetradecane 174.6
    n-nonane 285.13
    undecane 160.51
    tert-butylcyclohexane 250.83
    cyclooctane 318.55
    cyclopentanol 565.39
    tetrahydropyran 1504.24
    tert-amyl methyl ether 692.03
    2,5,8-trioxanonane 493.09
    1-hexene 1224.92
    2-isopropoxyethanol 263.13
    2,2,2-trifluoroethanol 41.58
    methyl butyrate 455.73

    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

Botanical

Name CAS Botanical Proportion
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Grape flower 84929-27-1 Vitis vinifera L., ssp. Gruener Veltliner, fam. Vitaceae 1.9%