1,5-Heptadiene, 3,3,6-trimethyl-

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  • Identifiers

    CAS number
    35387-63-4

    Molecular formula
    C10H18

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

  • Odor profile

    Herbal 78.38%
    Citrus 72.8%
    Woody 63.96%
    Terpenic 59.56%
    Fresh 52.53%
    Floral 51.86%
    Lemon 51.06%
    Sweet 49.62%
    Pine 48.35%
    Lavender 42.8%

    Scent© AI

  • Properties

    XLogP3-AA
    4.2

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    146°C

    Flash point est.
    37.06 ˚C

  • Synonyms

    • 1,5-Heptadiene, 3,3,6-trimethyl-
    • 2,5,5-Trimethyl-2,6-heptadien
    • 35387-63-4
    • 3,3,6-Trimethyl-1,5-heptadiene
    • DTXSID30334441
    • HRAGAKKBZWYBSJ-UHFFFAOYSA-N
    • 2,5,5-Trimethyl-2,6-heptadiene
    • 3,3,6-trimethyl,1,5-heptadiene
    • 2,6-Heptadiene, 2,5,5-trimethyl-
    • 3,3,6-Trimethyl-1,5-heptadiene #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.19
    methanol 24.15
    isopropanol 90.98
    water 0.08
    ethyl acetate 145.29
    n-propanol 77.53
    acetone 123.82
    n-butanol 103.79
    acetonitrile 59.59
    DMF 125.7
    toluene 162.74
    isobutanol 87.85
    1,4-dioxane 210.79
    methyl acetate 119.97
    THF 379.3
    2-butanone 184.61
    n-pentanol 84.38
    sec-butanol 135.59
    n-hexane 181.87
    ethylene glycol 11.04
    NMP 160.83
    cyclohexane 164.99
    DMSO 83.88
    n-butyl acetate 302.16
    n-octanol 198.77
    chloroform 278.62
    n-propyl acetate 107.17
    acetic acid 35.02
    dichloromethane 174.95
    cyclohexanone 234.78
    propylene glycol 39.11
    isopropyl acetate 146.76
    DMAc 196.31
    2-ethoxyethanol 72.61
    isopentanol 125.92
    n-heptane 339.15
    ethyl formate 54.52
    1,2-dichloroethane 114.62
    n-hexanol 291.26
    2-methoxyethanol 90.35
    isobutyl acetate 126.12
    tetrachloromethane 82.49
    n-pentyl acetate 154.64
    transcutol 320.18
    n-heptanol 162.51
    ethylbenzene 160.91
    MIBK 165.75
    2-propoxyethanol 232.51
    tert-butanol 189.9
    MTBE 300.64
    2-butoxyethanol 144.8
    propionic acid 54.35
    o-xylene 160.14
    formic acid 5.62
    diethyl ether 174.23
    m-xylene 169.22
    p-xylene 205.18
    chlorobenzene 138.36
    dimethyl carbonate 48.78
    n-octane 116.74
    formamide 9.72
    cyclopentanone 259.18
    2-pentanone 165.45
    anisole 198.12
    cyclopentyl methyl ether 253.77
    gamma-butyrolactone 171.48
    1-methoxy-2-propanol 134.96
    pyridine 159.64
    3-pentanone 149.44
    furfural 144.98
    n-dodecane 98.59
    diethylene glycol 85.05
    diisopropyl ether 153.26
    tert-amyl alcohol 226.11
    acetylacetone 159.52
    n-hexadecane 108.08
    acetophenone 157.66
    methyl propionate 115.33
    isopentyl acetate 337.15
    trichloroethylene 224.39
    n-nonanol 184.52
    cyclohexanol 139.2
    benzyl alcohol 93.95
    2-ethylhexanol 315.91
    isooctanol 157.15
    dipropyl ether 363.22
    1,2-dichlorobenzene 143.11
    ethyl lactate 67.27
    propylene carbonate 141.68
    n-methylformamide 35.54
    2-pentanol 129.02
    n-pentane 115.12
    1-propoxy-2-propanol 299.48
    1-methoxy-2-propyl acetate 280.8
    2-(2-methoxypropoxy) propanol 270.61
    mesitylene 149.47
    ε-caprolactone 195.22
    p-cymene 236.08
    epichlorohydrin 190.68
    1,1,1-trichloroethane 240.15
    2-aminoethanol 26.71
    morpholine-4-carbaldehyde 174.83
    sulfolane 212.69
    2,2,4-trimethylpentane 109.0
    2-methyltetrahydrofuran 352.03
    n-hexyl acetate 276.42
    isooctane 98.71
    2-(2-butoxyethoxy)ethanol 242.3
    sec-butyl acetate 133.93
    tert-butyl acetate 216.59
    decalin 144.79
    glycerin 38.48
    diglyme 310.3
    acrylic acid 38.61
    isopropyl myristate 221.07
    n-butyric acid 92.51
    acetyl acetate 94.92
    di(2-ethylhexyl) phthalate 147.81
    ethyl propionate 124.52
    nitromethane 59.0
    1,2-diethoxyethane 237.72
    benzonitrile 115.18
    trioctyl phosphate 120.58
    1-bromopropane 183.05
    gamma-valerolactone 216.79
    n-decanol 162.48
    triethyl phosphate 151.22
    4-methyl-2-pentanol 126.59
    propionitrile 92.95
    vinylene carbonate 98.08
    1,1,2-trichlorotrifluoroethane 125.7
    DMS 147.22
    cumene 159.79
    2-octanol 145.07
    2-hexanone 170.39
    octyl acetate 228.47
    limonene 351.42
    1,2-dimethoxyethane 199.36
    ethyl orthosilicate 157.67
    tributyl phosphate 131.32
    diacetone alcohol 196.98
    N,N-dimethylaniline 196.34
    acrylonitrile 78.74
    aniline 108.16
    1,3-propanediol 43.72
    bromobenzene 177.5
    dibromomethane 168.94
    1,1,2,2-tetrachloroethane 235.07
    2-methyl-cyclohexyl acetate 272.97
    tetrabutyl urea 173.92
    diisobutyl methanol 252.59
    2-phenylethanol 181.14
    styrene 149.3
    dioctyl adipate 227.66
    dimethyl sulfate 71.1
    ethyl butyrate 229.63
    methyl lactate 66.45
    butyl lactate 126.05
    diethyl carbonate 150.06
    propanediol butyl ether 140.63
    triethyl orthoformate 204.9
    p-tert-butyltoluene 265.69
    methyl 4-tert-butylbenzoate 253.35
    morpholine 208.14
    tert-butylamine 173.69
    n-dodecanol 151.22
    dimethoxymethane 116.02
    ethylene carbonate 87.91
    cyrene 149.15
    2-ethoxyethyl acetate 154.94
    2-ethylhexyl acetate 308.84
    1,2,4-trichlorobenzene 178.35
    4-methylpyridine 189.83
    dibutyl ether 286.0
    2,6-dimethyl-4-heptanol 252.59
    DEF 144.38
    dimethyl isosorbide 402.03
    tetrachloroethylene 125.1
    eugenol 181.04
    triacetin 215.57
    span 80 254.15
    1,4-butanediol 22.68
    1,1-dichloroethane 185.18
    2-methyl-1-pentanol 116.84
    methyl formate 28.52
    2-methyl-1-butanol 124.87
    n-decane 131.26
    butyronitrile 110.06
    3,7-dimethyl-1-octanol 253.19
    1-chlorooctane 229.05
    1-chlorotetradecane 149.88
    n-nonane 139.14
    undecane 109.17
    tert-butylcyclohexane 166.51
    cyclooctane 121.38
    cyclopentanol 125.5
    tetrahydropyran 293.15
    tert-amyl methyl ether 301.13
    2,5,8-trioxanonane 288.2
    1-hexene 230.33
    2-isopropoxyethanol 92.47
    2,2,2-trifluoroethanol 15.18
    methyl butyrate 143.59

    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
Michelia yunnanensis flower headspace (China) Michelia yunnanensis Franch. ex Finet et Gagnep., fam. Magnoliaceae 0.14%
Viburnum orientale leaf Viburnum orientale Pallas, fam. Caprifoliaceae 0.02%