3,4-Octadiene, 7-methyl-

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  • Identifiers

    CAS number
    37050-05-8

    Molecular formula
    C9H16

    SMILES
    CCC=C=CCC(C)C

  • Odor profile

    Green 79.97%
    Fruity 49.42%
    Fresh 47.33%
    Herbal 45.4%
    Gassy 37.9%
    Sweet 37.57%
    Citrus 35.58%
    Vegetable 33.41%
    Tropical 32.29%
    Leafy 31.15%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    5.94 (weak acid)

    Molecular weight
    124.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    138°C

    Flash point est.
    34.54 ˚C

  • Synonyms

    • 3,4-Octadiene, 7-methyl-
    • 7-methylocta-3,4-diene
    • 37050-05-8
    • DTXSID40190555
    • 7-Methyl-3,4-octadiene
    • 7-Methyl-3,4-octadiene #
    • DTXCID80113046
    • NS00095965

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 829.07
    methanol 398.01
    isopropanol 908.29
    water 0.03
    ethyl acetate 1095.12
    n-propanol 875.67
    acetone 1247.44
    n-butanol 1314.7
    acetonitrile 536.45
    DMF 677.77
    toluene 1066.33
    isobutanol 816.64
    1,4-dioxane 1925.38
    methyl acetate 746.64
    THF 3795.28
    2-butanone 1182.95
    n-pentanol 920.61
    sec-butanol 1144.63
    n-hexane 3388.47
    ethylene glycol 67.18
    NMP 757.13
    cyclohexane 3063.64
    DMSO 815.94
    n-butyl acetate 2842.19
    n-octanol 933.93
    chloroform 2327.69
    n-propyl acetate 879.13
    acetic acid 396.0
    dichloromethane 1655.51
    cyclohexanone 1917.88
    propylene glycol 186.32
    isopropyl acetate 851.01
    DMAc 567.52
    2-ethoxyethanol 526.6
    isopentanol 1360.12
    n-heptane 3418.93
    ethyl formate 404.65
    1,2-dichloroethane 1310.71
    n-hexanol 2872.12
    2-methoxyethanol 739.49
    isobutyl acetate 668.39
    tetrachloromethane 707.52
    n-pentyl acetate 854.12
    transcutol 2073.94
    n-heptanol 884.77
    ethylbenzene 652.32
    MIBK 941.94
    2-propoxyethanol 1770.9
    tert-butanol 1609.86
    MTBE 2521.59
    2-butoxyethanol 822.41
    propionic acid 419.32
    o-xylene 598.02
    formic acid 37.74
    diethyl ether 2552.1
    m-xylene 734.33
    p-xylene 734.58
    chlorobenzene 901.98
    dimethyl carbonate 166.44
    n-octane 739.67
    formamide 54.69
    cyclopentanone 1656.79
    2-pentanone 1403.81
    anisole 693.34
    cyclopentyl methyl ether 2227.58
    gamma-butyrolactone 1064.3
    1-methoxy-2-propanol 792.77
    pyridine 1300.37
    3-pentanone 961.58
    furfural 745.28
    n-dodecane 331.58
    diethylene glycol 484.15
    diisopropyl ether 1124.86
    tert-amyl alcohol 1505.99
    acetylacetone 817.44
    n-hexadecane 381.17
    acetophenone 469.96
    methyl propionate 612.24
    isopentyl acetate 2170.55
    trichloroethylene 1762.6
    n-nonanol 806.02
    cyclohexanol 1459.1
    benzyl alcohol 394.28
    2-ethylhexanol 2412.27
    isooctanol 729.49
    dipropyl ether 3827.82
    1,2-dichlorobenzene 707.69
    ethyl lactate 246.19
    propylene carbonate 750.95
    n-methylformamide 207.41
    2-pentanol 1209.45
    n-pentane 1974.37
    1-propoxy-2-propanol 1938.62
    1-methoxy-2-propyl acetate 1214.16
    2-(2-methoxypropoxy) propanol 628.11
    mesitylene 550.23
    ε-caprolactone 1310.68
    p-cymene 781.46
    epichlorohydrin 1460.02
    1,1,1-trichloroethane 1829.74
    2-aminoethanol 186.74
    morpholine-4-carbaldehyde 798.47
    sulfolane 1217.12
    2,2,4-trimethylpentane 640.06
    2-methyltetrahydrofuran 3416.99
    n-hexyl acetate 1289.11
    isooctane 609.44
    2-(2-butoxyethoxy)ethanol 912.1
    sec-butyl acetate 678.1
    tert-butyl acetate 1050.5
    decalin 881.1
    glycerin 184.92
    diglyme 1528.29
    acrylic acid 251.6
    isopropyl myristate 608.17
    n-butyric acid 1021.23
    acetyl acetate 494.65
    di(2-ethylhexyl) phthalate 353.31
    ethyl propionate 680.03
    nitromethane 444.05
    1,2-diethoxyethane 1827.02
    benzonitrile 617.54
    trioctyl phosphate 338.63
    1-bromopropane 2229.44
    gamma-valerolactone 1309.13
    n-decanol 618.19
    triethyl phosphate 468.8
    4-methyl-2-pentanol 780.08
    propionitrile 745.81
    vinylene carbonate 469.31
    1,1,2-trichlorotrifluoroethane 735.09
    DMS 425.98
    cumene 471.47
    2-octanol 654.67
    2-hexanone 1326.84
    octyl acetate 673.3
    limonene 1705.01
    1,2-dimethoxyethane 1503.21
    ethyl orthosilicate 577.31
    tributyl phosphate 419.98
    diacetone alcohol 810.39
    N,N-dimethylaniline 527.42
    acrylonitrile 487.37
    aniline 686.82
    1,3-propanediol 366.29
    bromobenzene 1123.77
    dibromomethane 1736.4
    1,1,2,2-tetrachloroethane 1789.53
    2-methyl-cyclohexyl acetate 993.82
    tetrabutyl urea 495.45
    diisobutyl methanol 1186.46
    2-phenylethanol 780.16
    styrene 743.89
    dioctyl adipate 632.86
    dimethyl sulfate 217.6
    ethyl butyrate 1533.56
    methyl lactate 207.79
    butyl lactate 496.01
    diethyl carbonate 751.79
    propanediol butyl ether 541.33
    triethyl orthoformate 1126.31
    p-tert-butyltoluene 820.63
    methyl 4-tert-butylbenzoate 520.83
    morpholine 2160.87
    tert-butylamine 1764.58
    n-dodecanol 504.67
    dimethoxymethane 691.41
    ethylene carbonate 497.84
    cyrene 384.67
    2-ethoxyethyl acetate 707.66
    2-ethylhexyl acetate 1974.33
    1,2,4-trichlorobenzene 742.23
    4-methylpyridine 1357.68
    dibutyl ether 2193.86
    2,6-dimethyl-4-heptanol 1186.46
    DEF 999.31
    dimethyl isosorbide 1002.88
    tetrachloroethylene 1131.93
    eugenol 415.81
    triacetin 596.92
    span 80 808.7
    1,4-butanediol 149.38
    1,1-dichloroethane 1582.99
    2-methyl-1-pentanol 982.72
    methyl formate 162.93
    2-methyl-1-butanol 1099.72
    n-decane 647.5
    butyronitrile 1259.99
    3,7-dimethyl-1-octanol 1059.86
    1-chlorooctane 1147.93
    1-chlorotetradecane 444.43
    n-nonane 823.14
    undecane 435.75
    tert-butylcyclohexane 832.87
    cyclooctane 1242.49
    cyclopentanol 1088.14
    tetrahydropyran 3825.71
    tert-amyl methyl ether 1712.77
    2,5,8-trioxanonane 941.11
    1-hexene 3735.61
    2-isopropoxyethanol 534.44
    2,2,2-trifluoroethanol 74.56
    methyl butyrate 933.44

    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
Sage, dalmatian (Reunion Island) 1 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.19%