Isomyocorene

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  • Identifiers

    CAS number
    6876-07-9

    Molecular formula
    C10H16

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 70.05%
    Citrus 61.73%
    Floral 56.03%
    Woody 52.76%
    Fresh 47.94%
    Terpenic 46.37%
    Fruity 44.18%
    Green 41.86%
    Lemon 39.52%
    Tropical 37.84%

     

    Flavor
    Citrus 34.15%
    Balsam 29.1%
    Spicy 26.96%
    Herbal 26.94%
    Terpene 26.46%
    Balsamic 25.86%
    Woody 25.09%
    Oriental 25.05%
    Wood 23.29%
    Spice 22.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.92 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    160°C

    Flash point

    • 41.09 ˚C est.

  • Synonyms

    • Isomyocorene
    • 2,6-dimethyl-1,3,7-octatriene
    • 6876-07-9
    • (3E)-2,6-dimethylocta-1,3,7-triene
    • SCHEMBL6865342
    • DTXSID501020816
    • (3E)-2,6-Dimethyl-1,3,7-octatriene
    • (3E)-2,6-Dimethyl-1,3,7-octatriene #
    • 2,6-Dimethyl 1,3,7-octatriene (alpha menthrene)
    • 6876-07-9

  • Applications

    Isomyocorene (CAS 6876-07-9) is an organic compound under consideration for a range of industrial applications, including as an odorant/fragrance component in perfumery and cosmetics/personal care; evaluated as an intermediate in organic synthesis; used as a solvent or processing aid in coatings and inks; potentially serving as a functional additive or monomer in polymers/plastics; and applicable in household and cleaning formulations as a fragrance ingredient or solvent, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 801.43
    methanol 415.36
    isopropanol 587.15
    water 0.09
    ethyl acetate 860.38
    n-propanol 636.58
    acetone 509.95
    n-butanol 916.61
    acetonitrile 346.86
    DMF 244.83
    toluene 665.82
    isobutanol 448.42
    1,4-dioxane 1368.26
    methyl acetate 432.73
    THF 2135.85
    2-butanone 669.06
    n-pentanol 641.9
    sec-butanol 715.51
    n-hexane 1056.25
    ethylene glycol 39.33
    NMP 290.9
    cyclohexane 982.44
    DMSO 313.99
    n-butyl acetate 1695.78
    n-octanol 442.35
    chloroform 1186.26
    n-propyl acetate 512.15
    acetic acid 221.53
    dichloromethane 878.67
    cyclohexanone 752.06
    propylene glycol 111.87
    isopropyl acetate 592.05
    DMAc 312.27
    2-ethoxyethanol 419.34
    isopentanol 761.01
    n-heptane 1287.85
    ethyl formate 240.94
    1,2-dichloroethane 616.01
    n-hexanol 1670.47
    2-methoxyethanol 511.09
    isobutyl acetate 375.58
    tetrachloromethane 297.92
    n-pentyl acetate 475.41
    transcutol 1752.79
    n-heptanol 484.3
    ethylbenzene 347.45
    MIBK 480.37
    2-propoxyethanol 1094.28
    tert-butanol 843.75
    MTBE 1456.66
    2-butoxyethanol 459.34
    propionic acid 212.34
    o-xylene 318.2
    formic acid 35.52
    diethyl ether 2054.31
    m-xylene 406.47
    p-xylene 346.55
    chlorobenzene 418.28
    dimethyl carbonate 83.59
    n-octane 234.83
    formamide 48.3
    cyclopentanone 579.1
    2-pentanone 732.9
    anisole 447.54
    cyclopentyl methyl ether 1136.77
    gamma-butyrolactone 419.18
    1-methoxy-2-propanol 496.05
    pyridine 810.16
    3-pentanone 493.25
    furfural 338.23
    n-dodecane 100.09
    diethylene glycol 301.97
    diisopropyl ether 678.29
    tert-amyl alcohol 826.12
    acetylacetone 434.81
    n-hexadecane 113.63
    acetophenone 265.19
    methyl propionate 376.94
    isopentyl acetate 1192.95
    trichloroethylene 751.05
    n-nonanol 403.93
    cyclohexanol 690.58
    benzyl alcohol 226.84
    2-ethylhexanol 1226.12
    isooctanol 364.79
    dipropyl ether 2240.8
    1,2-dichlorobenzene 295.69
    ethyl lactate 131.32
    propylene carbonate 304.38
    n-methylformamide 113.29
    2-pentanol 730.07
    n-pentane 817.69
    1-propoxy-2-propanol 1075.77
    1-methoxy-2-propyl acetate 796.0
    2-(2-methoxypropoxy) propanol 420.99
    mesitylene 265.01
    ε-caprolactone 641.58
    p-cymene 358.19
    epichlorohydrin 747.79
    1,1,1-trichloroethane 688.78
    2-aminoethanol 131.08
    morpholine-4-carbaldehyde 428.58
    sulfolane 376.01
    2,2,4-trimethylpentane 250.19
    2-methyltetrahydrofuran 1889.1
    n-hexyl acetate 636.63
    isooctane 222.66
    2-(2-butoxyethoxy)ethanol 594.33
    sec-butyl acetate 430.2
    tert-butyl acetate 624.55
    decalin 298.16
    glycerin 104.37
    diglyme 995.66
    acrylic acid 112.96
    isopropyl myristate 277.26
    n-butyric acid 592.13
    acetyl acetate 334.91
    di(2-ethylhexyl) phthalate 188.9
    ethyl propionate 416.42
    nitromethane 212.71
    1,2-diethoxyethane 1486.04
    benzonitrile 312.67
    trioctyl phosphate 151.39
    1-bromopropane 1077.55
    gamma-valerolactone 585.38
    n-decanol 295.97
    triethyl phosphate 246.79
    4-methyl-2-pentanol 437.1
    propionitrile 432.65
    vinylene carbonate 208.7
    1,1,2-trichlorotrifluoroethane 296.98
    DMS 229.81
    cumene 216.26
    2-octanol 308.06
    2-hexanone 678.24
    octyl acetate 322.24
    limonene 724.41
    1,2-dimethoxyethane 1006.79
    ethyl orthosilicate 302.93
    tributyl phosphate 200.15
    diacetone alcohol 446.68
    N,N-dimethylaniline 283.49
    acrylonitrile 262.16
    aniline 451.25
    1,3-propanediol 251.54
    bromobenzene 482.04
    dibromomethane 880.31
    1,1,2,2-tetrachloroethane 700.34
    2-methyl-cyclohexyl acetate 532.05
    tetrabutyl urea 241.04
    diisobutyl methanol 565.44
    2-phenylethanol 481.81
    styrene 406.0
    dioctyl adipate 304.18
    dimethyl sulfate 86.94
    ethyl butyrate 990.23
    methyl lactate 111.8
    butyl lactate 226.5
    diethyl carbonate 431.32
    propanediol butyl ether 275.91
    triethyl orthoformate 650.57
    p-tert-butyltoluene 360.44
    methyl 4-tert-butylbenzoate 268.64
    morpholine 1530.29
    tert-butylamine 820.65
    n-dodecanol 235.15
    dimethoxymethane 427.74
    ethylene carbonate 232.82
    cyrene 207.5
    2-ethoxyethyl acetate 488.97
    2-ethylhexyl acetate 1077.42
    1,2,4-trichlorobenzene 326.36
    4-methylpyridine 786.15
    dibutyl ether 1100.15
    2,6-dimethyl-4-heptanol 565.44
    DEF 560.27
    dimethyl isosorbide 623.91
    tetrachloroethylene 454.34
    eugenol 231.25
    triacetin 323.98
    span 80 435.96
    1,4-butanediol 88.34
    1,1-dichloroethane 700.34
    2-methyl-1-pentanol 589.09
    methyl formate 71.34
    2-methyl-1-butanol 667.3
    n-decane 214.89
    butyronitrile 732.27
    3,7-dimethyl-1-octanol 497.76
    1-chlorooctane 438.47
    1-chlorotetradecane 162.13
    n-nonane 252.37
    undecane 137.24
    tert-butylcyclohexane 268.02
    cyclooctane 412.05
    cyclopentanol 448.33
    tetrahydropyran 2286.06
    tert-amyl methyl ether 1067.54
    2,5,8-trioxanonane 616.64
    1-hexene 1701.1
    2-isopropoxyethanol 362.79
    2,2,2-trifluoroethanol 36.36
    methyl butyrate 509.16

    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