2,6-Dimethylocta-1,7-diene-3,6-diol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    51276-33-6

    Molecular formula
    C10H18O2

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

  • Odor profile

    Fragrance
    Woody 48.15%
    Sweet 47.62%
    Floral 36.52%
    Fresh 32.17%
    Mint 29.55%
    Herbal 27.58%
    Camphoreous 26.87%
    Earthy 26.76%
    Balsamic 26.51%
    Dry 25.95%

     

    Flavor
    Herbal 31.5%
    Sweet 30.85%
    Tropical 28.79%
    Fruity 27.94%
    Green 25.7%
    Herb 25.13%
    Woody 24.49%
    Ocimene 21.7%
    Mouldy 21.44%
    Earthy 20.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.89 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    242°C

    Flash point

    • 108.91 ˚C est.

  • Synonyms

    • 1,7-Octadiene-3,6-diol, 2,6-dimethyl-
    • 2,6-Dimethyl-1,7-octadiene-3,6-diol
    • 3,7-Dimethylocta-1,7-diene-3,6-diol
    • 2,6-dimethylocta-1,7-diene-3,6-diol
    • 51276-33-6
    • 2,6-Dimethylocta-1,7-dien-3,6-diol
    • SCHEMBL942435
    • DTXSID10338402
    • HZHJGFRDKJPQPV-UHFFFAOYSA-N
    • 2,6-Dimethyl-1,7-octadien-3,6-diol
    • 3,7-Dimethyl-1,7-octadien-3,6-diol
    • 3,7-dimethylocta-1,7-dien-3,6-diol
    • 3,7-dimethyl-1,7-octadiene-3,6-diol
    • 2,6-Dimethyl-octa-1,7-dien-3,6-diol
    • 3,7-Dimethyl-octa-1,7-dien-3,6-diol
    • 2,6-Dimethyl-1,7-octadiene-3,6-diol #

  • Applications

    2,6-Dimethylocta-1,7-diene-3,6-diol (CAS 51276-33-6) is primarily used as a chemical building block in organic synthesis, functioning as a difunctional precursor for fragrance components and as a reactive monomer in the formulation of specialty polymers and coatings. In polymer chemistry, its two hydroxyl groups enable use as a polyol in polyurethanes and polyesters, while the conjugated diene system allows further functionalization or crosslinking for UV-curable coatings, adhesives, and related resins. In research and development, it is often evaluated as an intermediate for the preparation of aroma-related ingredients and other fine chemicals, and in cosmetics or personal care it may be explored as a fragrance-related precursor within regulated formulations. Its application is typically subject to formulation requirements and local regulations due to its reactive functionalities.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 576.54
    methanol 776.94
    isopropanol 359.65
    water 14.63
    ethyl acetate 118.67
    n-propanol 337.73
    acetone 94.17
    n-butanol 335.17
    acetonitrile 98.79
    DMF 189.56
    toluene 38.52
    isobutanol 184.7
    1,4-dioxane 452.09
    methyl acetate 106.94
    THF 434.28
    2-butanone 114.31
    n-pentanol 198.05
    sec-butanol 247.61
    n-hexane 11.54
    ethylene glycol 121.8
    NMP 110.33
    cyclohexane 20.79
    DMSO 142.05
    n-butyl acetate 86.55
    n-octanol 107.08
    chloroform 106.49
    n-propyl acetate 68.03
    acetic acid 205.47
    dichloromethane 75.43
    cyclohexanone 133.2
    propylene glycol 183.38
    isopropyl acetate 81.1
    DMAc 231.6
    2-ethoxyethanol 337.79
    isopentanol 231.96
    n-heptane 16.48
    ethyl formate 94.57
    1,2-dichloroethane 45.48
    n-hexanol 236.79
    2-methoxyethanol 568.32
    isobutyl acetate 54.38
    tetrachloromethane 22.75
    n-pentyl acetate 61.36
    transcutol 573.96
    n-heptanol 122.62
    ethylbenzene 29.12
    MIBK 83.6
    2-propoxyethanol 318.95
    tert-butanol 375.73
    MTBE 182.46
    2-butoxyethanol 193.31
    propionic acid 135.81
    o-xylene 39.67
    formic acid 173.92
    diethyl ether 156.89
    m-xylene 36.31
    p-xylene 39.31
    chlorobenzene 34.04
    dimethyl carbonate 34.33
    n-octane 7.37
    formamide 176.53
    cyclopentanone 119.12
    2-pentanone 98.38
    anisole 87.99
    cyclopentyl methyl ether 132.61
    gamma-butyrolactone 120.92
    1-methoxy-2-propanol 345.34
    pyridine 119.58
    3-pentanone 61.01
    furfural 137.57
    n-dodecane 6.29
    diethylene glycol 254.93
    diisopropyl ether 45.44
    tert-amyl alcohol 271.93
    acetylacetone 89.36
    n-hexadecane 6.55
    acetophenone 69.12
    methyl propionate 79.54
    isopentyl acetate 93.06
    trichloroethylene 75.79
    n-nonanol 95.64
    cyclohexanol 155.08
    benzyl alcohol 94.32
    2-ethylhexanol 116.5
    isooctanol 88.03
    dipropyl ether 90.9
    1,2-dichlorobenzene 32.29
    ethyl lactate 52.19
    propylene carbonate 77.6
    n-methylformamide 133.42
    2-pentanol 177.04
    n-pentane 15.54
    1-propoxy-2-propanol 208.89
    1-methoxy-2-propyl acetate 107.78
    2-(2-methoxypropoxy) propanol 165.15
    mesitylene 26.75
    ε-caprolactone 135.79
    p-cymene 27.96
    epichlorohydrin 149.54
    1,1,1-trichloroethane 41.28
    2-aminoethanol 264.84
    morpholine-4-carbaldehyde 285.15
    sulfolane 104.72
    2,2,4-trimethylpentane 11.74
    2-methyltetrahydrofuran 233.24
    n-hexyl acetate 96.08
    isooctane 9.61
    2-(2-butoxyethoxy)ethanol 234.39
    sec-butyl acetate 58.18
    tert-butyl acetate 99.58
    decalin 11.54
    glycerin 222.03
    diglyme 349.72
    acrylic acid 93.17
    isopropyl myristate 44.07
    n-butyric acid 195.37
    acetyl acetate 66.64
    di(2-ethylhexyl) phthalate 49.4
    ethyl propionate 57.74
    nitromethane 148.35
    1,2-diethoxyethane 154.66
    benzonitrile 64.45
    trioctyl phosphate 36.99
    1-bromopropane 41.96
    gamma-valerolactone 243.04
    n-decanol 69.54
    triethyl phosphate 42.09
    4-methyl-2-pentanol 110.54
    propionitrile 103.45
    vinylene carbonate 72.12
    1,1,2-trichlorotrifluoroethane 123.09
    DMS 46.99
    cumene 27.15
    2-octanol 68.1
    2-hexanone 78.44
    octyl acetate 55.97
    limonene 44.34
    1,2-dimethoxyethane 398.88
    ethyl orthosilicate 50.09
    tributyl phosphate 39.27
    diacetone alcohol 154.81
    N,N-dimethylaniline 71.12
    acrylonitrile 89.6
    aniline 88.19
    1,3-propanediol 380.32
    bromobenzene 25.49
    dibromomethane 51.54
    1,1,2,2-tetrachloroethane 78.83
    2-methyl-cyclohexyl acetate 75.13
    tetrabutyl urea 51.58
    diisobutyl methanol 63.93
    2-phenylethanol 96.66
    styrene 30.74
    dioctyl adipate 60.42
    dimethyl sulfate 42.44
    ethyl butyrate 74.34
    methyl lactate 68.9
    butyl lactate 65.18
    diethyl carbonate 48.29
    propanediol butyl ether 172.47
    triethyl orthoformate 70.73
    p-tert-butyltoluene 29.97
    methyl 4-tert-butylbenzoate 82.85
    morpholine 529.45
    tert-butylamine 208.87
    n-dodecanol 50.93
    dimethoxymethane 177.84
    ethylene carbonate 68.04
    cyrene 114.31
    2-ethoxyethyl acetate 88.63
    2-ethylhexyl acetate 69.04
    1,2,4-trichlorobenzene 40.92
    4-methylpyridine 109.17
    dibutyl ether 74.3
    2,6-dimethyl-4-heptanol 63.93
    DEF 122.33
    dimethyl isosorbide 193.16
    tetrachloroethylene 62.42
    eugenol 93.78
    triacetin 81.93
    span 80 136.87
    1,4-butanediol 142.81
    1,1-dichloroethane 48.13
    2-methyl-1-pentanol 156.73
    methyl formate 77.86
    2-methyl-1-butanol 190.99
    n-decane 11.15
    butyronitrile 132.12
    3,7-dimethyl-1-octanol 95.07
    1-chlorooctane 34.1
    1-chlorotetradecane 14.74
    n-nonane 9.97
    undecane 7.94
    tert-butylcyclohexane 13.2
    cyclooctane 8.9
    cyclopentanol 148.29
    tetrahydropyran 274.25
    tert-amyl methyl ether 127.97
    2,5,8-trioxanonane 247.91
    1-hexene 37.65
    2-isopropoxyethanol 200.59
    2,2,2-trifluoroethanol 61.97
    methyl butyrate 80.46

    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
Bergamot (Italy) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Mandarin (Italy) 5 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%