Octadiene

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  • Identifiers

    CAS number
    1002-33-1

    Molecular formula
    C8H14

    SMILES
    CCCC/C=C/C=C

  • Odor profile

    Green 66.7%
    Gassy 51.69%
    Herbal 45.24%
    Citrus 39.24%
    Fruity 32.11%
    Fatty 29.9%
    Fresh 29.87%
    Vegetable 29.32%
    Leafy 27.47%
    Fishy 27.29%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    110.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    131°C

    Flash point est.
    16.2 ˚C

  • Synonyms

    • 1,3-Octadiene
    • Octadiene
    • (3E)-octa-1,3-diene
    • 1002-33-1
    • (E)-1,3-Octadiene
    • 63597-41-1
    • 1,3-Octadiene, E
    • 1,3-Octadiene, trans
    • UN2309
    • (3E)-1,3-Octadiene
    • 39491-65-1
    • Octadiene [UN2309] [Flammable liquid]
    • (3E)-1,3-Octadiene #
    • CHEBI:89638
    • DTXSID301020810
    • DTXSID401025813
    • AKOS006274075
    • Octadiene [UN2309] [Flammable liquid]
    • Q27161833

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1659.35
    methanol 933.87
    isopropanol 1681.33
    water 0.02
    ethyl acetate 2594.54
    n-propanol 1731.59
    acetone 2450.33
    n-butanol 2420.03
    acetonitrile 1111.83
    DMF 1189.29
    toluene 1765.84
    isobutanol 1366.63
    1,4-dioxane 3270.41
    methyl acetate 1453.14
    THF 6392.45
    2-butanone 2387.96
    n-pentanol 1567.8
    sec-butanol 1896.63
    n-hexane 3795.85
    ethylene glycol 98.37
    NMP 1038.22
    cyclohexane 4041.14
    DMSO 2000.01
    n-butyl acetate 5781.75
    n-octanol 845.5
    chloroform 3377.32
    n-propyl acetate 1763.09
    acetic acid 587.71
    dichloromethane 3344.24
    cyclohexanone 2936.07
    propylene glycol 219.21
    isopropyl acetate 1611.6
    DMAc 764.39
    2-ethoxyethanol 892.74
    isopentanol 2103.41
    n-heptane 4306.85
    ethyl formate 796.77
    1,2-dichloroethane 2689.43
    n-hexanol 4001.68
    2-methoxyethanol 1320.22
    isobutyl acetate 1053.65
    tetrachloromethane 931.3
    n-pentyl acetate 1355.13
    transcutol 3363.47
    n-heptanol 945.29
    ethylbenzene 852.33
    MIBK 1481.69
    2-propoxyethanol 2597.53
    tert-butanol 2500.28
    MTBE 3745.74
    2-butoxyethanol 960.0
    propionic acid 708.4
    o-xylene 709.38
    formic acid 59.7
    diethyl ether 5596.91
    m-xylene 971.03
    p-xylene 842.5
    chlorobenzene 1243.87
    dimethyl carbonate 256.75
    n-octane 764.87
    formamide 99.36
    cyclopentanone 2608.38
    2-pentanone 2732.54
    anisole 926.45
    cyclopentyl methyl ether 3570.03
    gamma-butyrolactone 1690.13
    1-methoxy-2-propanol 1329.73
    pyridine 2534.03
    3-pentanone 1727.69
    furfural 1000.06
    n-dodecane 270.79
    diethylene glycol 656.76
    diisopropyl ether 1675.59
    tert-amyl alcohol 2076.49
    acetylacetone 1430.66
    n-hexadecane 315.16
    acetophenone 561.18
    methyl propionate 1237.64
    isopentyl acetate 3566.68
    trichloroethylene 2981.2
    n-nonanol 745.62
    cyclohexanol 2077.65
    benzyl alcohol 508.49
    2-ethylhexanol 3290.76
    isooctanol 728.19
    dipropyl ether 6584.95
    1,2-dichlorobenzene 825.37
    ethyl lactate 293.47
    propylene carbonate 971.72
    n-methylformamide 426.09
    2-pentanol 2115.07
    n-pentane 2813.55
    1-propoxy-2-propanol 2705.15
    1-methoxy-2-propyl acetate 1838.87
    2-(2-methoxypropoxy) propanol 636.76
    mesitylene 632.24
    ε-caprolactone 2015.44
    p-cymene 931.5
    epichlorohydrin 2467.16
    1,1,1-trichloroethane 2700.4
    2-aminoethanol 270.86
    morpholine-4-carbaldehyde 1033.59
    sulfolane 1718.62
    2,2,4-trimethylpentane 634.02
    2-methyltetrahydrofuran 5859.47
    n-hexyl acetate 1617.66
    isooctane 635.65
    2-(2-butoxyethoxy)ethanol 962.23
    sec-butyl acetate 1090.13
    tert-butyl acetate 1552.47
    decalin 832.43
    glycerin 204.85
    diglyme 1885.71
    acrylic acid 365.93
    isopropyl myristate 597.97
    n-butyric acid 1792.62
    acetyl acetate 863.39
    di(2-ethylhexyl) phthalate 315.55
    ethyl propionate 1314.82
    nitromethane 804.42
    1,2-diethoxyethane 3830.73
    benzonitrile 847.59
    trioctyl phosphate 299.6
    1-bromopropane 4583.44
    gamma-valerolactone 1884.12
    n-decanol 556.61
    triethyl phosphate 537.95
    4-methyl-2-pentanol 1022.72
    propionitrile 1490.28
    vinylene carbonate 654.8
    1,1,2-trichlorotrifluoroethane 899.86
    DMS 533.2
    cumene 460.22
    2-octanol 646.42
    2-hexanone 2256.53
    octyl acetate 665.51
    limonene 2086.2
    1,2-dimethoxyethane 2614.83
    ethyl orthosilicate 671.27
    tributyl phosphate 409.7
    diacetone alcohol 1038.14
    N,N-dimethylaniline 540.48
    acrylonitrile 969.78
    aniline 1036.41
    1,3-propanediol 566.52
    bromobenzene 1583.72
    dibromomethane 3416.34
    1,1,2,2-tetrachloroethane 2438.34
    2-methyl-cyclohexyl acetate 1199.74
    tetrabutyl urea 511.03
    diisobutyl methanol 1407.97
    2-phenylethanol 1025.94
    styrene 1081.08
    dioctyl adipate 601.96
    dimethyl sulfate 314.55
    ethyl butyrate 3112.87
    methyl lactate 266.37
    butyl lactate 578.19
    diethyl carbonate 1178.68
    propanediol butyl ether 507.82
    triethyl orthoformate 1636.12
    p-tert-butyltoluene 883.94
    methyl 4-tert-butylbenzoate 458.72
    morpholine 3867.52
    tert-butylamine 2441.04
    n-dodecanol 458.82
    dimethoxymethane 1451.72
    ethylene carbonate 686.36
    cyrene 348.56
    2-ethoxyethyl acetate 1146.48
    2-ethylhexyl acetate 3143.91
    1,2,4-trichlorobenzene 825.67
    4-methylpyridine 2273.39
    dibutyl ether 3434.22
    2,6-dimethyl-4-heptanol 1407.97
    DEF 1841.86
    dimethyl isosorbide 1152.62
    tetrachloroethylene 1644.4
    eugenol 403.26
    triacetin 621.03
    span 80 741.37
    1,4-butanediol 186.3
    1,1-dichloroethane 2951.86
    2-methyl-1-pentanol 1370.82
    methyl formate 297.79
    2-methyl-1-butanol 1772.42
    n-decane 597.79
    butyronitrile 2549.24
    3,7-dimethyl-1-octanol 1104.39
    1-chlorooctane 1126.48
    1-chlorotetradecane 382.11
    n-nonane 785.35
    undecane 380.58
    tert-butylcyclohexane 752.07
    cyclooctane 1376.84
    cyclopentanol 1590.39
    tetrahydropyran 7033.09
    tert-amyl methyl ether 2390.96
    2,5,8-trioxanonane 1011.19
    1-hexene 5868.43
    2-isopropoxyethanol 751.69
    2,2,2-trifluoroethanol 87.5
    methyl butyrate 1757.53

    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
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.08%
Tarragon (USA) 5 8016-88-4 Artemisia dracunculus L. var. dracunculus, fam. Asteraceae (Compositae) 0.3%