3,4-Dimethyl-2,4,6-octatriene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    57396-75-5

    Molecular formula
    C10H16

    SMILES
    CC=CC=C(C)C(=CC)C

    Retention indicies (RI)

    • DB5: 1132.0

  • Odor profile

    Herbal 71.36%
    Floral 60.89%
    Sweet 59.15%
    Citrus 56.99%
    Woody 56.57%
    Tropical 52.61%
    Terpenic 52.53%
    Fresh 48.84%
    Lemon 45.04%
    Green 42.13%

    Scent© AI

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    10.9 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point est.
    52.02 ˚C

  • Synonyms

    • 3,4-Dimethyl-2,4,6-octatriene
    • 57396-75-5
    • DTXSID60334737
    • WGAUMWNVHAMGJF-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 259.07
    methanol 113.73
    isopropanol 296.96
    water 0.05
    ethyl acetate 666.36
    n-propanol 323.31
    acetone 453.04
    n-butanol 431.41
    acetonitrile 372.49
    DMF 325.28
    toluene 837.19
    isobutanol 277.8
    1,4-dioxane 1146.8
    methyl acetate 439.5
    THF 1700.18
    2-butanone 664.77
    n-pentanol 341.26
    sec-butanol 448.8
    n-hexane 1213.91
    ethylene glycol 16.27
    NMP 469.83
    cyclohexane 1077.46
    DMSO 279.25
    n-butyl acetate 1270.87
    n-octanol 362.78
    chloroform 1487.89
    n-propyl acetate 457.49
    acetic acid 121.94
    dichloromethane 1246.04
    cyclohexanone 974.61
    propylene glycol 43.76
    isopropyl acetate 442.48
    DMAc 402.07
    2-ethoxyethanol 233.73
    isopentanol 439.14
    n-heptane 1239.75
    ethyl formate 205.19
    1,2-dichloroethane 858.55
    n-hexanol 838.56
    2-methoxyethanol 252.32
    isobutyl acetate 345.24
    tetrachloromethane 491.98
    n-pentyl acetate 521.62
    transcutol 1062.02
    n-heptanol 370.9
    ethylbenzene 551.36
    MIBK 436.46
    2-propoxyethanol 532.67
    tert-butanol 578.14
    MTBE 1191.93
    2-butoxyethanol 320.52
    propionic acid 160.35
    o-xylene 485.22
    formic acid 13.29
    diethyl ether 1435.28
    m-xylene 500.78
    p-xylene 588.06
    chlorobenzene 588.42
    dimethyl carbonate 107.29
    n-octane 309.49
    formamide 30.17
    cyclopentanone 844.95
    2-pentanone 643.93
    anisole 626.05
    cyclopentyl methyl ether 1051.68
    gamma-butyrolactone 591.68
    1-methoxy-2-propanol 285.66
    pyridine 953.19
    3-pentanone 562.96
    furfural 385.68
    n-dodecane 138.68
    diethylene glycol 134.36
    diisopropyl ether 572.73
    tert-amyl alcohol 668.85
    acetylacetone 420.05
    n-hexadecane 160.99
    acetophenone 402.64
    methyl propionate 355.75
    isopentyl acetate 990.41
    trichloroethylene 1157.26
    n-nonanol 350.42
    cyclohexanol 533.86
    benzyl alcohol 231.59
    2-ethylhexanol 817.93
    isooctanol 336.4
    dipropyl ether 1746.09
    1,2-dichlorobenzene 522.59
    ethyl lactate 111.43
    propylene carbonate 363.34
    n-methylformamide 93.86
    2-pentanol 451.23
    n-pentane 686.27
    1-propoxy-2-propanol 581.8
    1-methoxy-2-propyl acetate 538.72
    2-(2-methoxypropoxy) propanol 389.31
    mesitylene 366.52
    ε-caprolactone 710.86
    p-cymene 493.96
    epichlorohydrin 814.12
    1,1,1-trichloroethane 1220.76
    2-aminoethanol 53.39
    morpholine-4-carbaldehyde 420.54
    sulfolane 592.16
    2,2,4-trimethylpentane 259.05
    2-methyltetrahydrofuran 1733.75
    n-hexyl acetate 709.85
    isooctane 208.27
    2-(2-butoxyethoxy)ethanol 468.2
    sec-butyl acetate 395.38
    tert-butyl acetate 567.44
    decalin 411.94
    glycerin 46.46
    diglyme 833.36
    acrylic acid 98.83
    isopropyl myristate 361.33
    n-butyric acid 367.25
    acetyl acetate 294.69
    di(2-ethylhexyl) phthalate 224.52
    ethyl propionate 436.68
    nitromethane 197.81
    1,2-diethoxyethane 1118.95
    benzonitrile 408.53
    trioctyl phosphate 169.97
    1-bromopropane 1282.36
    gamma-valerolactone 659.27
    n-decanol 269.32
    triethyl phosphate 291.23
    4-methyl-2-pentanol 288.07
    propionitrile 490.52
    vinylene carbonate 265.26
    1,1,2-trichlorotrifluoroethane 313.59
    DMS 283.59
    cumene 373.65
    2-octanol 307.76
    2-hexanone 631.22
    octyl acetate 390.65
    limonene 876.72
    1,2-dimethoxyethane 767.48
    ethyl orthosilicate 336.04
    tributyl phosphate 206.6
    diacetone alcohol 390.12
    N,N-dimethylaniline 470.91
    acrylonitrile 329.76
    aniline 373.92
    1,3-propanediol 108.14
    bromobenzene 784.51
    dibromomethane 1142.96
    1,1,2,2-tetrachloroethane 1091.1
    2-methyl-cyclohexyl acetate 591.74
    tetrabutyl urea 284.45
    diisobutyl methanol 463.18
    2-phenylethanol 399.17
    styrene 603.59
    dioctyl adipate 374.02
    dimethyl sulfate 143.65
    ethyl butyrate 842.98
    methyl lactate 90.9
    butyl lactate 214.23
    diethyl carbonate 442.97
    propanediol butyl ether 188.99
    triethyl orthoformate 571.23
    p-tert-butyltoluene 475.15
    methyl 4-tert-butylbenzoate 420.67
    morpholine 1144.83
    tert-butylamine 628.04
    n-dodecanol 229.91
    dimethoxymethane 322.37
    ethylene carbonate 251.83
    cyrene 248.34
    2-ethoxyethyl acetate 467.07
    2-ethylhexyl acetate 1001.93
    1,2,4-trichlorobenzene 557.57
    4-methylpyridine 922.02
    dibutyl ether 1020.34
    2,6-dimethyl-4-heptanol 463.18
    DEF 590.01
    dimethyl isosorbide 676.46
    tetrachloroethylene 657.3
    eugenol 303.58
    triacetin 364.03
    span 80 387.74
    1,4-butanediol 44.89
    1,1-dichloroethane 1001.29
    2-methyl-1-pentanol 410.18
    methyl formate 74.42
    2-methyl-1-butanol 438.83
    n-decane 270.12
    butyronitrile 647.8
    3,7-dimethyl-1-octanol 444.85
    1-chlorooctane 578.77
    1-chlorotetradecane 242.12
    n-nonane 329.16
    undecane 178.54
    tert-butylcyclohexane 377.36
    cyclooctane 471.15
    cyclopentanol 416.43
    tetrahydropyran 2026.93
    tert-amyl methyl ether 991.21
    2,5,8-trioxanonane 620.4
    1-hexene 1695.3
    2-isopropoxyethanol 240.02
    2,2,2-trifluoroethanol 33.43
    methyl butyrate 520.76

    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
Tagetes (Rwanda) 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.2%
Tagetes (France) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.6%
Gourd, ridge (Columbia) flower headspace 90063-68-6 Luffa acutangula, fam. Cucurbitaceae 0.05%