1,3,5-Octatriene

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  • Identifiers

    CAS number
    26555-19-1

    Molecular formula
    C8H12

    SMILES
    CC/C=C/C=C/C=C

  • Odor profile

    Green 86.45%
    Vegetable 41.07%
    Leafy 39.26%
    Fruity 39.1%
    Herbal 38.91%
    Gassy 37.66%
    Fatty 37.49%
    Citrus 35.36%
    Fresh 34.56%
    Melon 33.44%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    108.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    133°C

    Flash point est.
    22.47 ˚C

  • Synonyms

    • 1,3,5-Octatriene
    • 33580-04-0
    • 1,3,5-Octatriene, (E,E)-
    • (3E,5E)-octa-1,3,5-triene
    • Octatriene
    • octa-1,3,5-triene
    • (3E,5E)-1,3,5-Octatriene
    • 1,3E,5E-Octatriene
    • 1,3Z,5E-Octatriene
    • CHEBI:77504
    • HOXGZVUCAYFWGR-KQQUZDAGSA-N
    • Octatriene, 1,3-trans-5-trans-
    • (3E,5E)-1,3,5-Octatriene #
    • 40087-61-4
    • Q27147075

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1085.11
    methanol 581.0
    isopropanol 978.79
    water 0.02
    ethyl acetate 1869.72
    n-propanol 1067.55
    acetone 1762.5
    n-butanol 1373.71
    acetonitrile 867.29
    DMF 923.17
    toluene 1357.83
    isobutanol 805.32
    1,4-dioxane 2330.55
    methyl acetate 1103.23
    THF 4306.97
    2-butanone 1736.06
    n-pentanol 949.11
    sec-butanol 1161.16
    n-hexane 2333.77
    ethylene glycol 68.4
    NMP 897.36
    cyclohexane 2539.31
    DMSO 1517.27
    n-butyl acetate 3680.26
    n-octanol 557.56
    chloroform 2577.66
    n-propyl acetate 1198.5
    acetic acid 436.25
    dichloromethane 2667.13
    cyclohexanone 2088.44
    propylene glycol 152.84
    isopropyl acetate 1016.28
    DMAc 630.34
    2-ethoxyethanol 570.55
    isopentanol 1143.26
    n-heptane 2535.41
    ethyl formate 558.7
    1,2-dichloroethane 2052.42
    n-hexanol 2377.92
    2-methoxyethanol 842.42
    isobutyl acetate 708.3
    tetrachloromethane 674.69
    n-pentyl acetate 870.61
    transcutol 2291.25
    n-heptanol 557.54
    ethylbenzene 659.79
    MIBK 924.08
    2-propoxyethanol 1573.72
    tert-butanol 1432.96
    MTBE 2239.07
    2-butoxyethanol 591.52
    propionic acid 498.4
    o-xylene 528.86
    formic acid 41.9
    diethyl ether 3661.01
    m-xylene 720.76
    p-xylene 646.43
    chlorobenzene 1014.92
    dimethyl carbonate 222.75
    n-octane 480.92
    formamide 76.78
    cyclopentanone 1975.58
    2-pentanone 1845.85
    anisole 741.05
    cyclopentyl methyl ether 2394.03
    gamma-butyrolactone 1300.8
    1-methoxy-2-propanol 819.68
    pyridine 1964.86
    3-pentanone 1243.27
    furfural 789.95
    n-dodecane 186.02
    diethylene glycol 446.32
    diisopropyl ether 996.46
    tert-amyl alcohol 1217.09
    acetylacetone 1025.81
    n-hexadecane 216.78
    acetophenone 473.38
    methyl propionate 959.73
    isopentyl acetate 2205.33
    trichloroethylene 2341.59
    n-nonanol 496.87
    cyclohexanol 1295.06
    benzyl alcohol 382.35
    2-ethylhexanol 1888.35
    isooctanol 439.33
    dipropyl ether 4066.59
    1,2-dichlorobenzene 686.65
    ethyl lactate 224.4
    propylene carbonate 768.69
    n-methylformamide 321.35
    2-pentanol 1204.98
    n-pentane 1715.67
    1-propoxy-2-propanol 1600.76
    1-methoxy-2-propyl acetate 1248.67
    2-(2-methoxypropoxy) propanol 480.7
    mesitylene 451.97
    ε-caprolactone 1402.84
    p-cymene 624.33
    epichlorohydrin 1905.98
    1,1,1-trichloroethane 2021.85
    2-aminoethanol 181.62
    morpholine-4-carbaldehyde 797.54
    sulfolane 1400.53
    2,2,4-trimethylpentane 378.92
    2-methyltetrahydrofuran 3876.77
    n-hexyl acetate 1082.37
    isooctane 365.02
    2-(2-butoxyethoxy)ethanol 667.21
    sec-butyl acetate 725.21
    tert-butyl acetate 980.66
    decalin 566.66
    glycerin 141.97
    diglyme 1326.89
    acrylic acid 272.03
    isopropyl myristate 427.21
    n-butyric acid 1136.88
    acetyl acetate 655.95
    di(2-ethylhexyl) phthalate 250.67
    ethyl propionate 941.35
    nitromethane 658.15
    1,2-diethoxyethane 2532.05
    benzonitrile 636.07
    trioctyl phosphate 216.84
    1-bromopropane 3192.39
    gamma-valerolactone 1348.91
    n-decanol 376.42
    triethyl phosphate 401.39
    4-methyl-2-pentanol 566.08
    propionitrile 1008.86
    vinylene carbonate 517.45
    1,1,2-trichlorotrifluoroethane 684.39
    DMS 449.6
    cumene 353.75
    2-octanol 392.73
    2-hexanone 1506.52
    octyl acetate 471.67
    limonene 1360.57
    1,2-dimethoxyethane 1683.87
    ethyl orthosilicate 466.83
    tributyl phosphate 299.57
    diacetone alcohol 677.03
    N,N-dimethylaniline 437.73
    acrylonitrile 713.11
    aniline 759.3
    1,3-propanediol 350.84
    bromobenzene 1312.93
    dibromomethane 2567.74
    1,1,2,2-tetrachloroethane 1934.49
    2-methyl-cyclohexyl acetate 815.72
    tetrabutyl urea 402.11
    diisobutyl methanol 813.54
    2-phenylethanol 712.74
    styrene 879.75
    dioctyl adipate 471.76
    dimethyl sulfate 300.82
    ethyl butyrate 2037.91
    methyl lactate 207.63
    butyl lactate 385.97
    diethyl carbonate 846.73
    propanediol butyl ether 349.16
    triethyl orthoformate 1041.26
    p-tert-butyltoluene 581.8
    methyl 4-tert-butylbenzoate 379.24
    morpholine 2652.42
    tert-butylamine 1333.07
    n-dodecanol 317.15
    dimethoxymethane 1070.15
    ethylene carbonate 521.31
    cyrene 283.09
    2-ethoxyethyl acetate 779.83
    2-ethylhexyl acetate 1966.12
    1,2,4-trichlorobenzene 696.53
    4-methylpyridine 1721.27
    dibutyl ether 2108.93
    2,6-dimethyl-4-heptanol 813.54
    DEF 1366.73
    dimethyl isosorbide 893.8
    tetrachloroethylene 1244.47
    eugenol 332.85
    triacetin 484.63
    span 80 534.07
    1,4-butanediol 118.58
    1,1-dichloroethane 2132.21
    2-methyl-1-pentanol 815.84
    methyl formate 240.69
    2-methyl-1-butanol 1038.64
    n-decane 382.93
    butyronitrile 1571.91
    3,7-dimethyl-1-octanol 686.77
    1-chlorooctane 775.98
    1-chlorotetradecane 285.48
    n-nonane 493.47
    undecane 253.68
    tert-butylcyclohexane 498.72
    cyclooctane 885.28
    cyclopentanol 1042.67
    tetrahydropyran 4702.82
    tert-amyl methyl ether 1468.49
    2,5,8-trioxanonane 771.05
    1-hexene 3717.65
    2-isopropoxyethanol 482.03
    2,2,2-trifluoroethanol 69.59
    methyl butyrate 1206.83

    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
Lemon balm (Slovak Republic) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.01%