2,6-Dimethylocta-1,5,7-trien-3-ol

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  • Identifiers

    CAS number
    28977-58-4

    Molecular formula
    C10H16O

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

    Retention indicies (RI)

    • Carbowax: 1650.0

  • Odor profile

    Herbal 42.92%
    Green 35.92%
    Sweet 33.3%
    Citrus 31.64%
    Mint 31.3%
    Fresh 30.1%
    Earthy 29.9%
    Spicy 29.19%
    Fruity 26.78%
    Lemon 25.95%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.24 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    214°C

    Flash point est.
    79.91 ˚C

  • Synonyms

    • 2,6-Dimethylocta-1,5,7-trien-3-ol
    • 28977-58-4
    • Ocimenol, (E)-
    • 29414-56-0
    • 1,5,7-Octatrien-3-ol, 2,6-dimethyl-, (5E)-
    • RD4TJJ74P3
    • (E)-2,6-Dimethylocta-1,5,7-trien-3-ol
    • (E)-OCIMENOL
    • EINECS 249-346-6
    • EINECS 249-613-7
    • 2,6-Dimethyl-1,5,7-octatrienol-3
    • 1,5,7-Octatrien-3-ol, 2,6-dimethyl-, (E)-
    • 1,5,7-Octatrien-3-ol, 2,6-dimethyl-
    • (5E)-2,6-dimethylocta-1,5,7-trien-3-ol
    • DTXSID30885443
    • DTXSID10865460
    • UNII-RD4TJJ74P3
    • SCHEMBL17627633
    • DTXCID70813866
    • DTXCID601024823
    • 5,7-Octadien-2-ol,2,6-dimethyl
    • AKOS006272750
    • NS00084589
    • (5E)-2,6-dimethyl-octa-1,5,7-trien-3-ol
    • (5E)-2,6-Dimethyl-1,5,7-octatrien-3-ol #
    • 249-346-6
    • 249-613-7

  • Applications

    2,6-Dimethylocta-1,5,7-trien-3-ol (CAS 28977-58-4) is an unsaturated terpenoid alcohol with a terpenic, citrus-herbal character, used primarily as a fragrance ingredient in fine fragrances, personal care and home-care products to brighten top notes and tune citrus/green/herbal facets; where permitted by local regulations it may also be employed at trace levels as a flavor modifier in beverages, confectionery and foods; in synthetic and analytical contexts it serves as a versatile intermediate for preparing fragrant esters (e.g., acetates/benzoates), epoxides and oxidized terpenoid derivatives, as well as a GC-MS reference standard for profiling natural terpene mixtures and a model substrate to study autoxidation and formulation stability, with purity, safety and use levels governed by applicable specifications and industry guidance (e.g., IFRA for fragrance) and local food regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 342.35
    methanol 254.23
    isopropanol 244.29
    water 1.07
    ethyl acetate 193.09
    n-propanol 254.35
    acetone 67.2
    n-butanol 296.12
    acetonitrile 122.64
    DMF 77.09
    toluene 102.68
    isobutanol 160.7
    1,4-dioxane 400.24
    methyl acetate 142.18
    THF 365.87
    2-butanone 153.96
    n-pentanol 196.29
    sec-butanol 257.26
    n-hexane 43.15
    ethylene glycol 32.77
    NMP 68.21
    cyclohexane 57.66
    DMSO 78.93
    n-butyl acetate 182.93
    n-octanol 118.56
    chloroform 304.97
    n-propyl acetate 102.74
    acetic acid 119.39
    dichloromethane 205.46
    cyclohexanone 139.69
    propylene glycol 77.11
    isopropyl acetate 104.13
    DMAc 139.73
    2-ethoxyethanol 208.61
    isopentanol 227.35
    n-heptane 49.96
    ethyl formate 81.55
    1,2-dichloroethane 106.45
    n-hexanol 301.91
    2-methoxyethanol 268.84
    isobutyl acetate 75.42
    tetrachloromethane 59.71
    n-pentyl acetate 102.64
    transcutol 658.59
    n-heptanol 135.91
    ethylbenzene 71.65
    MIBK 86.13
    2-propoxyethanol 274.52
    tert-butanol 313.74
    MTBE 260.9
    2-butoxyethanol 170.91
    propionic acid 105.34
    o-xylene 75.87
    formic acid 42.89
    diethyl ether 276.23
    m-xylene 77.26
    p-xylene 82.79
    chlorobenzene 82.06
    dimethyl carbonate 27.25
    n-octane 17.27
    formamide 56.89
    cyclopentanone 101.09
    2-pentanone 117.38
    anisole 127.41
    cyclopentyl methyl ether 140.56
    gamma-butyrolactone 100.26
    1-methoxy-2-propanol 212.55
    pyridine 211.43
    3-pentanone 87.63
    furfural 125.99
    n-dodecane 12.78
    diethylene glycol 135.66
    diisopropyl ether 73.9
    tert-amyl alcohol 296.21
    acetylacetone 83.53
    n-hexadecane 13.86
    acetophenone 91.99
    methyl propionate 92.4
    isopentyl acetate 165.06
    trichloroethylene 191.81
    n-nonanol 106.28
    cyclohexanol 151.25
    benzyl alcohol 98.42
    2-ethylhexanol 179.96
    isooctanol 104.16
    dipropyl ether 189.37
    1,2-dichlorobenzene 72.37
    ethyl lactate 50.38
    propylene carbonate 77.46
    n-methylformamide 53.69
    2-pentanol 203.05
    n-pentane 48.28
    1-propoxy-2-propanol 225.65
    1-methoxy-2-propyl acetate 138.84
    2-(2-methoxypropoxy) propanol 170.49
    mesitylene 49.87
    ε-caprolactone 148.11
    p-cymene 62.83
    epichlorohydrin 168.53
    1,1,1-trichloroethane 131.64
    2-aminoethanol 99.83
    morpholine-4-carbaldehyde 160.95
    sulfolane 81.53
    2,2,4-trimethylpentane 29.43
    2-methyltetrahydrofuran 289.79
    n-hexyl acetate 142.46
    isooctane 22.6
    2-(2-butoxyethoxy)ethanol 224.84
    sec-butyl acetate 90.52
    tert-butyl acetate 117.71
    decalin 30.66
    glycerin 80.43
    diglyme 346.11
    acrylic acid 68.78
    isopropyl myristate 64.86
    n-butyric acid 193.23
    acetyl acetate 84.4
    di(2-ethylhexyl) phthalate 62.9
    ethyl propionate 89.61
    nitromethane 98.77
    1,2-diethoxyethane 245.15
    benzonitrile 99.76
    trioctyl phosphate 42.82
    1-bromopropane 129.87
    gamma-valerolactone 169.95
    n-decanol 78.65
    triethyl phosphate 59.21
    4-methyl-2-pentanol 114.24
    propionitrile 148.44
    vinylene carbonate 72.82
    1,1,2-trichlorotrifluoroethane 110.93
    DMS 63.29
    cumene 57.75
    2-octanol 86.52
    2-hexanone 111.99
    octyl acetate 77.51
    limonene 90.47
    1,2-dimethoxyethane 290.48
    ethyl orthosilicate 71.54
    tributyl phosphate 48.1
    diacetone alcohol 131.91
    N,N-dimethylaniline 92.7
    acrylonitrile 113.88
    aniline 120.82
    1,3-propanediol 168.41
    bromobenzene 79.1
    dibromomethane 164.77
    1,1,2,2-tetrachloroethane 177.04
    2-methyl-cyclohexyl acetate 110.6
    tetrabutyl urea 60.24
    diisobutyl methanol 99.55
    2-phenylethanol 126.46
    styrene 81.21
    dioctyl adipate 83.86
    dimethyl sulfate 32.62
    ethyl butyrate 136.13
    methyl lactate 44.97
    butyl lactate 74.21
    diethyl carbonate 83.34
    propanediol butyl ether 130.08
    triethyl orthoformate 108.86
    p-tert-butyltoluene 61.03
    methyl 4-tert-butylbenzoate 103.99
    morpholine 441.38
    tert-butylamine 224.22
    n-dodecanol 59.66
    dimethoxymethane 98.62
    ethylene carbonate 65.8
    cyrene 97.82
    2-ethoxyethyl acetate 129.43
    2-ethylhexyl acetate 138.05
    1,2,4-trichlorobenzene 85.88
    4-methylpyridine 175.85
    dibutyl ether 131.78
    2,6-dimethyl-4-heptanol 99.55
    DEF 114.92
    dimethyl isosorbide 205.39
    tetrachloroethylene 125.31
    eugenol 107.89
    triacetin 104.18
    span 80 153.33
    1,4-butanediol 60.15
    1,1-dichloroethane 138.19
    2-methyl-1-pentanol 181.7
    methyl formate 30.58
    2-methyl-1-butanol 208.96
    n-decane 22.41
    butyronitrile 188.03
    3,7-dimethyl-1-octanol 118.52
    1-chlorooctane 64.65
    1-chlorotetradecane 28.1
    n-nonane 21.26
    undecane 16.22
    tert-butylcyclohexane 33.79
    cyclooctane 22.7
    cyclopentanol 110.37
    tetrahydropyran 365.93
    tert-amyl methyl ether 193.96
    2,5,8-trioxanonane 246.77
    1-hexene 134.66
    2-isopropoxyethanol 151.16
    2,2,2-trifluoroethanol 31.91
    methyl butyrate 108.04

    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
Viburnum orientale leaf Viburnum orientale Pallas, fam. Caprifoliaceae 1.3%
Lime (Mexican, West Indian, Key) 5 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.06%
Lime (Mexican, West Indian, Key) (Peru) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.03%
Lime (Mexican, West Indian, Key) 7 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.03%