2,6-Dimethyl-5,7-octadien-2-ol-, (5E)-

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  • Identifiers

    CAS number
    5986-38-9

    Molecular formula
    C10H18O

    SMILES
    C/C(=C\CCC(C)(C)O)/C=C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Citrus 77.25%
    Floral 74.46%
    Fresh 67.44%
    Lemon 60.75%
    Herbal 59.19%
    Sweet 58.96%
    Woody 49.89%
    Lavender 48.95%
    Bergamot 46.38%
    Rose 43.87%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    213°C

    Flash point est.
    79.81 ˚C

  • Synonyms

    • Ocimenol
    • 2,6-Dimethyl-5,7-octadien-2-ol
    • (5E)-2,6-dimethylocta-5,7-dien-2-ol
    • 5986-38-9
    • 5,7-OCTADIEN-2-OL, 2,6-DIMETHYL-
    • VS9Q6ZW25U
    • trans-2,6-Dimethyl-5,7-octadien-2-ol
    • (E)-2,6-Dimethylocta-5,7-dien-2-ol
    • 2,6-Dimethyl-5,7-octadien-2-ol-, (5E)-
    • 5,7-Octadien-2-ol, 2,6-dimethyl-, (E)-
    • 5,7-Octadien-2-ol, 2,6-dimethyl-, (5E)-
    • UNII-VS9Q6ZW25U
    • 7643-60-9
    • EINECS 227-806-7
    • 5,7-Octadien-2-ol,2,6-dimethyl-
    • (5E)-2,6-Dimethyl-5,7-octadien-2-ol
    • UNII-FR6PG7PF4W
    • FR6PG7PF4W
    • SCHEMBL111319
    • (5E)-2,6-Dimethyl-5,7-octadien-2-ol #

  • Applications

    2,6-Dimethyl-5,7-octadien-2-ol, (5E)- (CAS 5986-38-9) is an open-chain allylic alcohol in the monoterpenoid class used as a fragrance ingredient and odor modifier in fine fragrances, personal care, detergents and air-care due to fresh citrus-floral-green tonalities and its readiness to form pleasantly scented esters/ethers; in flavor and fragrance manufacturing (where permitted) it can be dosed at very low levels as a flavor note or used as a building block to prepare esters, carbonates, urethane acrylates and other derivatives, serves as a versatile intermediate to access other C10 terpenoids and to semi-synthesize pheromones or semiochemicals, can be derivatized into UV-curable materials via OH-functionalization, and is employed in research and analytical work (e.g., GC/MS standards and studies of allylic oxidation, epoxidation, hydroboration-oxidation, E/Z isomerization, and radical additions) to probe stability, reaction pathways and formulation behavior.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1515.17
    methanol 1517.57
    isopropanol 1161.18
    water 6.67
    ethyl acetate 575.47
    n-propanol 1063.19
    acetone 547.5
    n-butanol 1208.64
    acetonitrile 377.81
    DMF 563.36
    toluene 253.98
    isobutanol 695.32
    1,4-dioxane 1224.6
    methyl acetate 436.41
    THF 1459.32
    2-butanone 557.03
    n-pentanol 815.58
    sec-butanol 994.44
    n-hexane 414.54
    ethylene glycol 209.32
    NMP 499.61
    cyclohexane 341.72
    DMSO 402.45
    n-butyl acetate 547.69
    n-octanol 565.24
    chloroform 855.54
    n-propyl acetate 348.95
    acetic acid 545.11
    dichloromethane 496.08
    cyclohexanone 629.57
    propylene glycol 457.53
    isopropyl acetate 418.51
    DMAc 641.19
    2-ethoxyethanol 762.97
    isopentanol 892.03
    n-heptane 349.36
    ethyl formate 281.61
    1,2-dichloroethane 286.54
    n-hexanol 1304.53
    2-methoxyethanol 1143.2
    isobutyl acetate 266.77
    tetrachloromethane 206.36
    n-pentyl acetate 338.03
    transcutol 2051.19
    n-heptanol 549.32
    ethylbenzene 161.46
    MIBK 363.3
    2-propoxyethanol 1228.71
    tert-butanol 1266.25
    MTBE 1008.71
    2-butoxyethanol 668.43
    propionic acid 475.91
    o-xylene 186.88
    formic acid 218.04
    diethyl ether 967.75
    m-xylene 198.25
    p-xylene 200.86
    chlorobenzene 206.54
    dimethyl carbonate 128.68
    n-octane 93.63
    formamide 222.83
    cyclopentanone 533.76
    2-pentanone 547.15
    anisole 321.45
    cyclopentyl methyl ether 709.02
    gamma-butyrolactone 469.67
    1-methoxy-2-propanol 924.18
    pyridine 443.48
    3-pentanone 379.55
    furfural 388.54
    n-dodecane 62.69
    diethylene glycol 655.72
    diisopropyl ether 350.29
    tert-amyl alcohol 1093.0
    acetylacetone 336.46
    n-hexadecane 67.07
    acetophenone 228.9
    methyl propionate 381.47
    isopentyl acetate 494.98
    trichloroethylene 467.16
    n-nonanol 485.65
    cyclohexanol 777.87
    benzyl alcohol 243.53
    2-ethylhexanol 691.36
    isooctanol 383.06
    dipropyl ether 698.85
    1,2-dichlorobenzene 181.02
    ethyl lactate 210.72
    propylene carbonate 322.1
    n-methylformamide 319.86
    2-pentanol 842.72
    n-pentane 369.61
    1-propoxy-2-propanol 961.53
    1-methoxy-2-propyl acetate 498.2
    2-(2-methoxypropoxy) propanol 535.5
    mesitylene 139.73
    ε-caprolactone 585.74
    p-cymene 159.66
    epichlorohydrin 527.47
    1,1,1-trichloroethane 395.86
    2-aminoethanol 555.18
    morpholine-4-carbaldehyde 780.09
    sulfolane 394.58
    2,2,4-trimethylpentane 149.67
    2-methyltetrahydrofuran 1104.78
    n-hexyl acetate 586.91
    isooctane 110.87
    2-(2-butoxyethoxy)ethanol 807.88
    sec-butyl acetate 301.01
    tert-butyl acetate 460.97
    decalin 137.74
    glycerin 464.32
    diglyme 1100.7
    acrylic acid 299.79
    isopropyl myristate 226.38
    n-butyric acid 755.46
    acetyl acetate 281.2
    di(2-ethylhexyl) phthalate 195.82
    ethyl propionate 312.36
    nitromethane 410.02
    1,2-diethoxyethane 718.82
    benzonitrile 243.28
    trioctyl phosphate 154.79
    1-bromopropane 422.93
    gamma-valerolactone 751.73
    n-decanol 347.47
    triethyl phosphate 176.15
    4-methyl-2-pentanol 494.36
    propionitrile 426.9
    vinylene carbonate 265.84
    1,1,2-trichlorotrifluoroethane 452.13
    DMS 242.22
    cumene 132.78
    2-octanol 359.36
    2-hexanone 420.71
    octyl acetate 295.64
    limonene 287.31
    1,2-dimethoxyethane 1015.28
    ethyl orthosilicate 206.38
    tributyl phosphate 193.41
    diacetone alcohol 524.99
    N,N-dimethylaniline 246.66
    acrylonitrile 307.83
    aniline 346.28
    1,3-propanediol 724.7
    bromobenzene 187.38
    dibromomethane 436.24
    1,1,2,2-tetrachloroethane 481.94
    2-methyl-cyclohexyl acetate 343.29
    tetrabutyl urea 242.25
    diisobutyl methanol 322.0
    2-phenylethanol 363.31
    styrene 176.98
    dioctyl adipate 270.11
    dimethyl sulfate 140.96
    ethyl butyrate 376.58
    methyl lactate 251.92
    butyl lactate 297.51
    diethyl carbonate 229.06
    propanediol butyl ether 631.81
    triethyl orthoformate 342.94
    p-tert-butyltoluene 171.04
    methyl 4-tert-butylbenzoate 303.3
    morpholine 1499.32
    tert-butylamine 984.33
    n-dodecanol 255.68
    dimethoxymethane 531.67
    ethylene carbonate 281.46
    cyrene 312.69
    2-ethoxyethyl acetate 364.21
    2-ethylhexyl acetate 422.66
    1,2,4-trichlorobenzene 222.58
    4-methylpyridine 475.88
    dibutyl ether 564.96
    2,6-dimethyl-4-heptanol 322.0
    DEF 540.61
    dimethyl isosorbide 592.87
    tetrachloroethylene 343.91
    eugenol 291.56
    triacetin 382.32
    span 80 567.72
    1,4-butanediol 289.0
    1,1-dichloroethane 415.11
    2-methyl-1-pentanol 636.2
    methyl formate 189.37
    2-methyl-1-butanol 805.57
    n-decane 121.55
    butyronitrile 568.83
    3,7-dimethyl-1-octanol 485.74
    1-chlorooctane 270.63
    1-chlorotetradecane 110.02
    n-nonane 128.69
    undecane 82.29
    tert-butylcyclohexane 153.11
    cyclooctane 145.63
    cyclopentanol 579.89
    tetrahydropyran 1298.81
    tert-amyl methyl ether 769.78
    2,5,8-trioxanonane 711.02
    1-hexene 661.39
    2-isopropoxyethanol 552.75
    2,2,2-trifluoroethanol 149.07
    methyl butyrate 380.11

    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
Yuzu (Japan) 2 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%
Achillea biebersteinii (Turkey) 1 Achillea biebersteinii Afan., fam. Asteraceae (Compositae) 1.41%
Kaempferia galanga rhizome (Malaysia) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 0.39%
Elsholtzia incisa Elsholtzia incisa Benth, fam. Lamiaceae (Labiatae) 0.56%
Lavender (France) 8 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.02%
Lavender (Ukraine) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.01%