3,7-Octadien-2-ol, 2-methyl-6-methylene-, (E)-

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  • Identifiers

    CAS number
    6994-89-4

    Molecular formula
    C10H16O

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

    Retention indicies (RI)

    • Carbowax: 1628.0

  • Odor profile

    Citrus 62.04%
    Floral 61.93%
    Woody 61.0%
    Fresh 59.16%
    Herbal 52.85%
    Lavender 44.83%
    Sweet 41.63%
    Lemon 39.79%
    Bergamot 39.47%
    Spicy 38.68%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    204°C

    Flash point est.
    84.23 ˚C

  • Synonyms

    • 6994-89-4
    • 3,7-Octadien-2-ol, 2-methyl-6-methylene-, (E)-
    • (3E)-2-methyl-6-methylideneocta-3,7-dien-2-ol
    • (E)-2-Methyl-6-methylene-3,7-octadien-2-ol
    • Isomyrcenol
    • SCHEMBL5070794
    • SCHEMBL5070795
    • NOEQSPUVXRMJBW-SOFGYWHQSA-N
    • trans-2-Methyl-6-methylen-3,7-octadien-2-ol
    • (3E)-2-Methyl-6-methylene-3,7-octadien-2-ol #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1016.43
    methanol 1141.66
    isopropanol 682.74
    water 4.95
    ethyl acetate 384.96
    n-propanol 715.78
    acetone 343.81
    n-butanol 809.47
    acetonitrile 244.01
    DMF 425.73
    toluene 163.15
    isobutanol 430.93
    1,4-dioxane 825.73
    methyl acetate 306.69
    THF 1002.41
    2-butanone 378.8
    n-pentanol 532.84
    sec-butanol 628.06
    n-hexane 260.82
    ethylene glycol 150.01
    NMP 393.23
    cyclohexane 209.97
    DMSO 295.25
    n-butyl acetate 359.61
    n-octanol 362.18
    chloroform 502.17
    n-propyl acetate 246.27
    acetic acid 400.34
    dichloromethane 300.85
    cyclohexanone 435.9
    propylene glycol 308.8
    isopropyl acetate 276.92
    DMAc 510.67
    2-ethoxyethanol 536.66
    isopentanol 551.77
    n-heptane 212.17
    ethyl formate 197.53
    1,2-dichloroethane 181.2
    n-hexanol 835.68
    2-methoxyethanol 817.24
    isobutyl acetate 185.5
    tetrachloromethane 116.0
    n-pentyl acetate 220.88
    transcutol 1390.86
    n-heptanol 350.31
    ethylbenzene 108.15
    MIBK 236.91
    2-propoxyethanol 845.95
    tert-butanol 718.34
    MTBE 630.75
    2-butoxyethanol 442.05
    propionic acid 332.93
    o-xylene 125.3
    formic acid 177.41
    diethyl ether 665.19
    m-xylene 127.58
    p-xylene 129.49
    chlorobenzene 133.12
    dimethyl carbonate 101.23
    n-octane 56.62
    formamide 169.99
    cyclopentanone 356.68
    2-pentanone 369.32
    anisole 229.63
    cyclopentyl methyl ether 470.27
    gamma-butyrolactone 333.63
    1-methoxy-2-propanol 633.76
    pyridine 299.35
    3-pentanone 261.3
    furfural 288.68
    n-dodecane 39.57
    diethylene glycol 468.72
    diisopropyl ether 218.79
    tert-amyl alcohol 691.54
    acetylacetone 229.78
    n-hexadecane 42.18
    acetophenone 168.18
    methyl propionate 274.21
    isopentyl acetate 320.78
    trichloroethylene 292.5
    n-nonanol 318.39
    cyclohexanol 492.62
    benzyl alcohol 175.61
    2-ethylhexanol 438.74
    isooctanol 243.54
    dipropyl ether 479.62
    1,2-dichlorobenzene 117.04
    ethyl lactate 155.77
    propylene carbonate 234.15
    n-methylformamide 241.79
    2-pentanol 530.41
    n-pentane 235.53
    1-propoxy-2-propanol 641.82
    1-methoxy-2-propyl acetate 340.43
    2-(2-methoxypropoxy) propanol 370.25
    mesitylene 92.0
    ε-caprolactone 407.27
    p-cymene 102.08
    epichlorohydrin 357.59
    1,1,1-trichloroethane 226.61
    2-aminoethanol 376.3
    morpholine-4-carbaldehyde 556.83
    sulfolane 298.12
    2,2,4-trimethylpentane 94.66
    2-methyltetrahydrofuran 737.28
    n-hexyl acetate 387.61
    isooctane 66.18
    2-(2-butoxyethoxy)ethanol 548.93
    sec-butyl acetate 207.36
    tert-butyl acetate 301.56
    decalin 87.95
    glycerin 324.39
    diglyme 751.08
    acrylic acid 215.62
    isopropyl myristate 152.39
    n-butyric acid 497.81
    acetyl acetate 194.69
    di(2-ethylhexyl) phthalate 137.49
    ethyl propionate 223.48
    nitromethane 299.93
    1,2-diethoxyethane 485.45
    benzonitrile 166.29
    trioctyl phosphate 107.09
    1-bromopropane 257.24
    gamma-valerolactone 513.78
    n-decanol 227.96
    triethyl phosphate 130.43
    4-methyl-2-pentanol 300.48
    propionitrile 277.64
    vinylene carbonate 192.89
    1,1,2-trichlorotrifluoroethane 321.57
    DMS 176.14
    cumene 89.02
    2-octanol 223.8
    2-hexanone 285.73
    octyl acetate 201.7
    limonene 182.47
    1,2-dimethoxyethane 726.19
    ethyl orthosilicate 149.12
    tributyl phosphate 134.68
    diacetone alcohol 344.67
    N,N-dimethylaniline 178.62
    acrylonitrile 203.82
    aniline 231.04
    1,3-propanediol 494.09
    bromobenzene 112.43
    dibromomethane 256.2
    1,1,2,2-tetrachloroethane 311.01
    2-methyl-cyclohexyl acetate 233.91
    tetrabutyl urea 173.58
    diisobutyl methanol 205.37
    2-phenylethanol 248.49
    styrene 117.75
    dioctyl adipate 188.11
    dimethyl sulfate 111.78
    ethyl butyrate 262.87
    methyl lactate 183.45
    butyl lactate 199.92
    diethyl carbonate 165.45
    propanediol butyl ether 414.61
    triethyl orthoformate 238.74
    p-tert-butyltoluene 108.07
    methyl 4-tert-butylbenzoate 214.85
    morpholine 1026.14
    tert-butylamine 565.36
    n-dodecanol 170.27
    dimethoxymethane 402.54
    ethylene carbonate 202.33
    cyrene 237.3
    2-ethoxyethyl acetate 248.44
    2-ethylhexyl acetate 276.08
    1,2,4-trichlorobenzene 147.96
    4-methylpyridine 320.6
    dibutyl ether 373.79
    2,6-dimethyl-4-heptanol 205.37
    DEF 386.27
    dimethyl isosorbide 437.7
    tetrachloroethylene 222.02
    eugenol 211.27
    triacetin 264.93
    span 80 384.01
    1,4-butanediol 196.15
    1,1-dichloroethane 230.32
    2-methyl-1-pentanol 419.49
    methyl formate 148.3
    2-methyl-1-butanol 531.13
    n-decane 74.38
    butyronitrile 358.31
    3,7-dimethyl-1-octanol 309.37
    1-chlorooctane 177.28
    1-chlorotetradecane 73.23
    n-nonane 77.2
    undecane 51.29
    tert-butylcyclohexane 96.39
    cyclooctane 90.82
    cyclopentanol 380.09
    tetrahydropyran 865.24
    tert-amyl methyl ether 505.52
    2,5,8-trioxanonane 503.88
    1-hexene 430.98
    2-isopropoxyethanol 374.34
    2,2,2-trifluoroethanol 105.26
    methyl butyrate 269.87

    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
Laurel leaf (Turkey) 2a hydrodistilled 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.2%
Laurel leaf (Turkey) 2b steamdistilled 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.1%
Laurel leaf (Turkey) 2c CO2-extracted 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.2%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Seafennel (Turkey) 2 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.01%
Salvia aucheri (Turkey) 1a var. aucheri Salvia aucheri Benth. var. aucheri, fam. Lamiaceae (Labiatae) 0.1%
Salvia aucheri (Turkey) 1b var. canenscens Salvia aucheri Benth. var. canenscens, fam. Lamiaceae (Labiatae) 0.1%