1,7-Octadiene

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  • Identifiers

    CAS number
    3710-30-3

    Molecular formula
    C8H14

    SMILES
    C=CCCCCC=C

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Citrus 50.56%
    Gassy 50.2%
    Green 39.88%
    Herbal 38.64%
    Fresh 28.65%
    Fatty 23.65%
    Fishy 23.25%
    Lemon 20.92%
    Aldehydic 20.8%
    Fruity 20.53%

     

    Flavor
    Citrus 27.93%
    Pumpkin 19.84%
    Dewy 19.36%
    Oriental 19.24%
    Biscuit 19.17%
    Grapefruit peel 19.11%
    Low 18.96%
    Diterpene 18.68%
    Delicate 18.61%
    Honeydew 18.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.36 (weak base)

    Molecular weight
    110.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -70 °C

    Boiling point

    • 114-121 °C

    Flash point

    • 12.7 ˚C est.
    • 9 °C

    Solubility expt.

    • Solubility in water: none

  • Synonyms

    • 1,7-OCTADIENE
    • Octa-1,7-diene
    • 3710-30-3
    • alpha,omega-Octadiene
    • .alpha.,.omega.-Octadiene
    • EINECS 223-054-9
    • NSC 82324
    • UNII-N4H29T34J2
    • BRN 0605288
    • AI3-28000
    • N4H29T34J2
    • NSC-82324
    • DTXSID6063147
    • CHEBI:183652
    • EC 223-054-9
    • 4-01-00-01038 (Beilstein Handbook Reference)
    • 26374-83-4
    • NSC82324
    • MFCD00008668
    • 1,7-Octadiene, 98%
    • WLN: 1U6U1
    • DTXCID8039293
    • AKOS025295239
    • LS-13468
    • NS00009423
    • O0104
    • F19559
    • Q2698110
    • 223-054-9

  • Applications

    1,7-Octadiene (CAS 3710-30-3) is primarily used as a monomer and chemical intermediate in polymer synthesis, enabling copolymerization to yield specialty polymers and elastomeric networks, and it can also serve as a chain extender or functional precursor in plastics, coatings, and adhesive formulations. In coatings, inks, and adhesive applications, it is considered a reactive component that can enhance network formation, adhesion, and cure properties. Additionally, as an organic synthesis precursor, it is evaluated for making advanced materials and functional polymers for research and development in materials science. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 366.51
    methanol 254.91
    isopropanol 394.14
    water 0.03
    ethyl acetate 712.3
    n-propanol 476.15
    acetone 644.86
    n-butanol 659.01
    acetonitrile 294.09
    DMF 418.04
    toluene 633.11
    isobutanol 386.33
    1,4-dioxane 1089.78
    methyl acetate 431.75
    THF 2462.28
    2-butanone 684.75
    n-pentanol 423.9
    sec-butanol 547.83
    n-hexane 1414.13
    ethylene glycol 33.2
    NMP 588.74
    cyclohexane 1649.28
    DMSO 602.25
    n-butyl acetate 1585.98
    n-octanol 268.53
    chloroform 1564.28
    n-propyl acetate 573.24
    acetic acid 209.74
    dichloromethane 1246.5
    cyclohexanone 1218.67
    propylene glycol 78.14
    isopropyl acetate 482.03
    DMAc 314.52
    2-ethoxyethanol 299.8
    isopentanol 568.21
    n-heptane 1648.79
    ethyl formate 248.86
    1,2-dichloroethane 940.95
    n-hexanol 1042.12
    2-methoxyethanol 413.97
    isobutyl acetate 383.42
    tetrachloromethane 513.83
    n-pentyl acetate 449.57
    transcutol 1110.34
    n-heptanol 296.28
    ethylbenzene 325.83
    MIBK 464.67
    2-propoxyethanol 779.04
    tert-butanol 662.99
    MTBE 1049.78
    2-butoxyethanol 347.62
    propionic acid 271.98
    o-xylene 320.46
    formic acid 24.56
    diethyl ether 1548.53
    m-xylene 351.83
    p-xylene 361.44
    chlorobenzene 568.11
    dimethyl carbonate 105.17
    n-octane 301.54
    formamide 36.31
    cyclopentanone 1197.67
    2-pentanone 802.0
    anisole 361.48
    cyclopentyl methyl ether 1367.16
    gamma-butyrolactone 901.45
    1-methoxy-2-propanol 412.77
    pyridine 929.48
    3-pentanone 589.29
    furfural 573.15
    n-dodecane 108.82
    diethylene glycol 240.98
    diisopropyl ether 516.75
    tert-amyl alcohol 639.1
    acetylacetone 473.75
    n-hexadecane 127.33
    acetophenone 261.73
    methyl propionate 399.04
    isopentyl acetate 1012.91
    trichloroethylene 1213.25
    n-nonanol 254.22
    cyclohexanol 734.84
    benzyl alcohol 205.39
    2-ethylhexanol 964.98
    isooctanol 262.92
    dipropyl ether 2177.38
    1,2-dichlorobenzene 452.04
    ethyl lactate 140.25
    propylene carbonate 564.55
    n-methylformamide 142.05
    2-pentanol 577.06
    n-pentane 965.21
    1-propoxy-2-propanol 928.88
    1-methoxy-2-propyl acetate 615.71
    2-(2-methoxypropoxy) propanol 283.21
    mesitylene 251.76
    ε-caprolactone 873.52
    p-cymene 361.19
    epichlorohydrin 960.05
    1,1,1-trichloroethane 1126.43
    2-aminoethanol 93.82
    morpholine-4-carbaldehyde 483.9
    sulfolane 942.21
    2,2,4-trimethylpentane 254.41
    2-methyltetrahydrofuran 2015.77
    n-hexyl acetate 514.88
    isooctane 216.64
    2-(2-butoxyethoxy)ethanol 413.2
    sec-butyl acetate 390.42
    tert-butyl acetate 534.47
    decalin 385.83
    glycerin 89.86
    diglyme 782.14
    acrylic acid 173.25
    isopropyl myristate 254.18
    n-butyric acid 602.43
    acetyl acetate 316.17
    di(2-ethylhexyl) phthalate 150.37
    ethyl propionate 451.71
    nitromethane 270.68
    1,2-diethoxyethane 1078.99
    benzonitrile 339.12
    trioctyl phosphate 135.77
    1-bromopropane 1620.71
    gamma-valerolactone 829.0
    n-decanol 195.51
    triethyl phosphate 278.35
    4-methyl-2-pentanol 321.56
    propionitrile 491.19
    vinylene carbonate 354.35
    1,1,2-trichlorotrifluoroethane 470.03
    DMS 218.6
    cumene 205.33
    2-octanol 218.94
    2-hexanone 712.39
    octyl acetate 268.24
    limonene 801.82
    1,2-dimethoxyethane 817.11
    ethyl orthosilicate 326.43
    tributyl phosphate 190.94
    diacetone alcohol 394.83
    N,N-dimethylaniline 240.25
    acrylonitrile 353.83
    aniline 402.27
    1,3-propanediol 187.36
    bromobenzene 711.36
    dibromomethane 1282.01
    1,1,2,2-tetrachloroethane 1119.2
    2-methyl-cyclohexyl acetate 527.04
    tetrabutyl urea 238.51
    diisobutyl methanol 520.34
    2-phenylethanol 353.84
    styrene 414.52
    dioctyl adipate 282.12
    dimethyl sulfate 154.02
    ethyl butyrate 1061.08
    methyl lactate 117.05
    butyl lactate 249.92
    diethyl carbonate 471.01
    propanediol butyl ether 208.2
    triethyl orthoformate 666.49
    p-tert-butyltoluene 350.61
    methyl 4-tert-butylbenzoate 245.15
    morpholine 1216.96
    tert-butylamine 675.88
    n-dodecanol 164.27
    dimethoxymethane 452.35
    ethylene carbonate 350.09
    cyrene 203.67
    2-ethoxyethyl acetate 382.91
    2-ethylhexyl acetate 970.85
    1,2,4-trichlorobenzene 475.49
    4-methylpyridine 798.49
    dibutyl ether 1073.67
    2,6-dimethyl-4-heptanol 520.34
    DEF 659.89
    dimethyl isosorbide 530.7
    tetrachloroethylene 813.87
    eugenol 200.91
    triacetin 296.64
    span 80 336.98
    1,4-butanediol 61.54
    1,1-dichloroethane 1006.21
    2-methyl-1-pentanol 414.24
    methyl formate 109.13
    2-methyl-1-butanol 528.15
    n-decane 225.75
    butyronitrile 718.66
    3,7-dimethyl-1-octanol 383.26
    1-chlorooctane 440.0
    1-chlorotetradecane 167.81
    n-nonane 284.63
    undecane 147.29
    tert-butylcyclohexane 322.26
    cyclooctane 596.52
    cyclopentanol 639.57
    tetrahydropyran 2311.45
    tert-amyl methyl ether 828.14
    2,5,8-trioxanonane 461.55
    1-hexene 1893.7
    2-isopropoxyethanol 272.22
    2,2,2-trifluoroethanol 50.0
    methyl butyrate 612.29

    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