1,3-Hexadiene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    592-48-3

    Molecular formula
    C6H10

    SMILES
    CC/C=C/C=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Green 76.29%
    Gassy 52.18%
    Fruity 36.84%
    Pungent 34.58%
    Vegetable 33.96%
    Fresh 31.25%
    Leafy 29.66%
    Herbal 27.75%
    Earthy 23.97%
    Citrus 23.29%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    82.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    75°C

    Flash point est.
    -22.84 ˚C

  • Synonyms

    • 1,3-HEXADIENE
    • (3E)-hexa-1,3-diene
    • (E)-1,3-Hexadiene
    • 592-48-3
    • C2H5CH=CHCH=CH2
    • cis,trans-Hexa-1,3-diene
    • 1,3-Hexadiene,c&t
    • EINECS 209-759-4
    • 20237-34-7
    • 1,3-Hexadiene(c,t)
    • 1,3-Hexadiene cis + trans
    • (3E)-1,3-Hexadiene #
    • 1,3-Hexadiene, (E)-
    • DTXSID00870644
    • Hexa1,3diene
    • 1,trans-3-hexadiene
    • 1,3-Hexadiene (cis & trans)
    • DTXCID80818347
    • DTXSID50897341
    • AKOS005258315
    • FH03126
    • GS-0598
    • 1,3Hexadiene, mixture of cis and trans
    • EN300-1850077
    • 209-759-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 354.85
    methanol 199.3
    isopropanol 360.37
    water 0.04
    ethyl acetate 594.92
    n-propanol 356.92
    acetone 578.52
    n-butanol 493.15
    acetonitrile 324.28
    DMF 369.22
    toluene 376.13
    isobutanol 307.31
    1,4-dioxane 758.1
    methyl acetate 393.18
    THF 1503.3
    2-butanone 610.98
    n-pentanol 337.74
    sec-butanol 423.66
    n-hexane 730.76
    ethylene glycol 31.48
    NMP 496.58
    cyclohexane 648.81
    DMSO 612.07
    n-butyl acetate 1427.76
    n-octanol 309.07
    chloroform 888.28
    n-propyl acetate 440.77
    acetic acid 189.58
    dichloromethane 841.28
    cyclohexanone 833.04
    propylene glycol 64.6
    isopropyl acetate 381.64
    DMAc 266.75
    2-ethoxyethanol 240.2
    isopentanol 440.87
    n-heptane 906.27
    ethyl formate 211.11
    1,2-dichloroethane 600.64
    n-hexanol 967.24
    2-methoxyethanol 330.29
    isobutyl acetate 303.86
    tetrachloromethane 301.63
    n-pentyl acetate 381.0
    transcutol 908.92
    n-heptanol 297.8
    ethylbenzene 225.92
    MIBK 386.72
    2-propoxyethanol 722.13
    tert-butanol 556.19
    MTBE 766.09
    2-butoxyethanol 292.52
    propionic acid 219.36
    o-xylene 210.04
    formic acid 20.59
    diethyl ether 906.82
    m-xylene 264.45
    p-xylene 254.69
    chlorobenzene 373.28
    dimethyl carbonate 94.64
    n-octane 229.47
    formamide 29.37
    cyclopentanone 883.16
    2-pentanone 625.67
    anisole 279.26
    cyclopentyl methyl ether 845.76
    gamma-butyrolactone 658.33
    1-methoxy-2-propanol 359.41
    pyridine 546.07
    3-pentanone 442.38
    furfural 406.35
    n-dodecane 117.62
    diethylene glycol 245.84
    diisopropyl ether 363.22
    tert-amyl alcohol 493.64
    acetylacetone 423.32
    n-hexadecane 130.13
    acetophenone 215.04
    methyl propionate 345.74
    isopentyl acetate 954.04
    trichloroethylene 800.05
    n-nonanol 275.8
    cyclohexanol 454.24
    benzyl alcohol 155.62
    2-ethylhexanol 800.08
    isooctanol 250.18
    dipropyl ether 1325.16
    1,2-dichlorobenzene 307.09
    ethyl lactate 124.67
    propylene carbonate 397.08
    n-methylformamide 135.01
    2-pentanol 438.82
    n-pentane 483.22
    1-propoxy-2-propanol 780.91
    1-methoxy-2-propyl acetate 569.64
    2-(2-methoxypropoxy) propanol 297.56
    mesitylene 200.55
    ε-caprolactone 594.61
    p-cymene 280.93
    epichlorohydrin 709.09
    1,1,1-trichloroethane 744.97
    2-aminoethanol 78.82
    morpholine-4-carbaldehyde 392.62
    sulfolane 735.27
    2,2,4-trimethylpentane 169.2
    2-methyltetrahydrofuran 1330.87
    n-hexyl acetate 504.11
    isooctane 182.99
    2-(2-butoxyethoxy)ethanol 404.41
    sec-butyl acetate 294.01
    tert-butyl acetate 445.92
    decalin 227.0
    glycerin 76.18
    diglyme 643.13
    acrylic acid 127.49
    isopropyl myristate 253.57
    n-butyric acid 462.69
    acetyl acetate 271.71
    di(2-ethylhexyl) phthalate 155.53
    ethyl propionate 352.11
    nitromethane 272.5
    1,2-diethoxyethane 852.13
    benzonitrile 286.79
    trioctyl phosphate 147.28
    1-bromopropane 970.77
    gamma-valerolactone 641.29
    n-decanol 225.73
    triethyl phosphate 204.32
    4-methyl-2-pentanol 260.97
    propionitrile 369.52
    vinylene carbonate 260.97
    1,1,2-trichlorotrifluoroethane 316.53
    DMS 213.93
    cumene 160.7
    2-octanol 234.58
    2-hexanone 560.83
    octyl acetate 287.44
    limonene 558.28
    1,2-dimethoxyethane 648.1
    ethyl orthosilicate 230.46
    tributyl phosphate 189.16
    diacetone alcohol 368.68
    N,N-dimethylaniline 205.31
    acrylonitrile 279.96
    aniline 249.06
    1,3-propanediol 160.66
    bromobenzene 487.95
    dibromomethane 827.77
    1,1,2,2-tetrachloroethane 664.73
    2-methyl-cyclohexyl acetate 432.55
    tetrabutyl urea 255.64
    diisobutyl methanol 396.25
    2-phenylethanol 334.02
    styrene 275.36
    dioctyl adipate 261.94
    dimethyl sulfate 141.56
    ethyl butyrate 788.93
    methyl lactate 112.67
    butyl lactate 213.52
    diethyl carbonate 363.47
    propanediol butyl ether 220.21
    triethyl orthoformate 460.89
    p-tert-butyltoluene 274.09
    methyl 4-tert-butylbenzoate 230.59
    morpholine 814.27
    tert-butylamine 470.32
    n-dodecanol 197.6
    dimethoxymethane 364.74
    ethylene carbonate 245.06
    cyrene 185.11
    2-ethoxyethyl acetate 343.69
    2-ethylhexyl acetate 877.14
    1,2,4-trichlorobenzene 325.19
    4-methylpyridine 557.54
    dibutyl ether 786.1
    2,6-dimethyl-4-heptanol 396.25
    DEF 453.55
    dimethyl isosorbide 542.61
    tetrachloroethylene 419.34
    eugenol 203.8
    triacetin 265.81
    span 80 327.63
    1,4-butanediol 63.18
    1,1-dichloroethane 714.07
    2-methyl-1-pentanol 335.45
    methyl formate 103.79
    2-methyl-1-butanol 414.86
    n-decane 199.09
    butyronitrile 558.29
    3,7-dimethyl-1-octanol 375.22
    1-chlorooctane 384.21
    1-chlorotetradecane 173.94
    n-nonane 245.76
    undecane 145.89
    tert-butylcyclohexane 232.13
    cyclooctane 296.74
    cyclopentanol 432.63
    tetrahydropyran 1333.78
    tert-amyl methyl ether 571.09
    2,5,8-trioxanonane 466.54
    1-hexene 1053.22
    2-isopropoxyethanol 218.92
    2,2,2-trifluoroethanol 35.56
    methyl butyrate 444.89

    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
Coleus aromaticus (Martinique) Coleus aromaticus Benth. (wild oregano), fam. Lamiaceae (Labiatae) 0.13%