2,6-Dimethyloct-7-ene-2,6-diol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    29210-77-3

    Molecular formula
    C10H20O2

    SMILES
    CC(C)(CCCC(C)(C=C)O)O

  • Odor profile

    Floral 75.34%
    Woody 65.49%
    Sweet 60.99%
    Fresh 58.1%
    Citrus 44.02%
    Lily 39.84%
    Rose 38.94%
    Herbal 36.77%
    Green 32.23%
    Lavender 31.45%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    241°C

    Melting point expt.

    • 51 - 52 °C

    Flash point est.
    112.81 ˚C

  • Synonyms

    • 2,6-Dimethyloct-7-ene-2,6-diol
    • 29210-77-3
    • 7-Octene-2,6-diol, 2,6-dimethyl-
    • 6,7-Dihydro-7-hydroxylinalool
    • 2,6-Dimethyl-7-octene-2,6-diol
    • F7S8KYN9GG
    • EINECS 249-511-2
    • EINECS 260-961-9
    • 3-HYDROXYDIHYDROMYRCENOL
    • DTXSID10880698
    • 3,7-dimethyl-1-octen-3,7-diol
    • (1)-2,6-Dimethyloct-7-ene-2,6-diol
    • cis-linalool hydrate
    • UNII-F7S8KYN9GG
    • 7-Hydroxy-6,7-dihydrolinalool
    • SCHEMBL4118679
    • CHEBI:179552
    • DTXCID501022062
    • 2,6-Dimethyl-7-octen-2,6-diol
    • 2,6-Dimethyloct-7-en-2,6-diol
    • 3,7-Dimethyl-1-octene-3,7-diol
    • 3,7-Dimethyloct-1-ene-3,7-diol
    • 1-Octen-3,7-diol, 3,7-dimethyl
    • AKOS015841432
    • 3,7-Dimethyl-3,7-dihydroxyoct-1-ene
    • NS00051373
    • 249-511-2

  • Applications

    2,6-Dimethyloct-7-ene-2,6-diol (CAS 29210-77-3) is a branched diol bearing a terminal C=C bond and is therefore used as a versatile building block in organic synthesis and materials R&D: the two hydroxyl groups enable formation of esters, ethers, urethanes, or carbonates to access functional monomers, oligomers, and additives for plastics, coatings, inks, and adhesives; the alkene can undergo epoxidation, hydroboration, thiol–ene, or hydrosilylation to introduce polarity, couple to silicone, or create crosslinkable sites, which is useful for UV-curable systems and elastomer networks; the sterically hindered tertiary environment around the OH groups can impart improved thermal and hydrolytic stability to the resulting esters/urethanes, making the derivatives attractive as lubricant, plasticizer, and emollient components in rubber, paint, and polymer formulations; it is also employed as an intermediate toward fragrance/flavor derivatives, surfactants, and bioactive candidates by tuning hydrophilic–lipophilic balance, and as a model substrate for studying catalytic redox, radical additions, and selective transformations on an alkenyl–diol scaffold.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1095.53
    methanol 1652.65
    isopropanol 752.22
    water 49.89
    ethyl acetate 245.36
    n-propanol 693.1
    acetone 365.03
    n-butanol 655.87
    acetonitrile 211.29
    DMF 739.62
    toluene 72.1
    isobutanol 426.41
    1,4-dioxane 812.79
    methyl acetate 248.72
    THF 1042.23
    2-butanone 276.92
    n-pentanol 402.28
    sec-butanol 515.89
    n-hexane 82.44
    ethylene glycol 318.1
    NMP 588.04
    cyclohexane 82.21
    DMSO 424.19
    n-butyl acetate 222.97
    n-octanol 313.5
    chloroform 230.63
    n-propyl acetate 185.52
    acetic acid 678.58
    dichloromethane 161.66
    cyclohexanone 431.06
    propylene glycol 540.97
    isopropyl acetate 194.78
    DMAc 597.03
    2-ethoxyethanol 563.91
    isopentanol 440.95
    n-heptane 78.72
    ethyl formate 208.99
    1,2-dichloroethane 99.97
    n-hexanol 528.47
    2-methoxyethanol 1016.9
    isobutyl acetate 154.75
    tetrachloromethane 64.06
    n-pentyl acetate 176.84
    transcutol 1300.19
    n-heptanol 293.66
    ethylbenzene 55.48
    MIBK 194.2
    2-propoxyethanol 735.01
    tert-butanol 702.39
    MTBE 385.03
    2-butoxyethanol 450.96
    propionic acid 458.85
    o-xylene 75.87
    formic acid 471.24
    diethyl ether 328.37
    m-xylene 73.31
    p-xylene 82.31
    chlorobenzene 72.29
    dimethyl carbonate 115.3
    n-octane 27.66
    formamide 374.89
    cyclopentanone 436.52
    2-pentanone 252.45
    anisole 149.09
    cyclopentyl methyl ether 402.94
    gamma-butyrolactone 465.01
    1-methoxy-2-propanol 751.48
    pyridine 204.76
    3-pentanone 183.3
    furfural 349.78
    n-dodecane 21.06
    diethylene glycol 559.69
    diisopropyl ether 122.97
    tert-amyl alcohol 544.47
    acetylacetone 229.68
    n-hexadecane 22.03
    acetophenone 139.04
    methyl propionate 228.2
    isopentyl acetate 219.91
    trichloroethylene 160.31
    n-nonanol 265.05
    cyclohexanol 435.05
    benzyl alcohol 152.22
    2-ethylhexanol 283.23
    isooctanol 208.63
    dipropyl ether 266.62
    1,2-dichlorobenzene 71.76
    ethyl lactate 158.61
    propylene carbonate 270.52
    n-methylformamide 432.28
    2-pentanol 382.01
    n-pentane 77.47
    1-propoxy-2-propanol 527.14
    1-methoxy-2-propyl acetate 278.43
    2-(2-methoxypropoxy) propanol 378.63
    mesitylene 59.22
    ε-caprolactone 412.81
    p-cymene 61.4
    epichlorohydrin 349.56
    1,1,1-trichloroethane 108.22
    2-aminoethanol 642.58
    morpholine-4-carbaldehyde 778.23
    sulfolane 422.11
    2,2,4-trimethylpentane 43.5
    2-methyltetrahydrofuran 579.96
    n-hexyl acetate 298.04
    isooctane 32.57
    2-(2-butoxyethoxy)ethanol 548.41
    sec-butyl acetate 147.76
    tert-butyl acetate 236.37
    decalin 41.06
    glycerin 670.32
    diglyme 748.84
    acrylic acid 337.87
    isopropyl myristate 114.46
    n-butyric acid 521.65
    acetyl acetate 162.62
    di(2-ethylhexyl) phthalate 120.85
    ethyl propionate 161.77
    nitromethane 510.92
    1,2-diethoxyethane 308.04
    benzonitrile 120.91
    trioctyl phosphate 101.87
    1-bromopropane 96.42
    gamma-valerolactone 685.34
    n-decanol 182.42
    triethyl phosphate 101.3
    4-methyl-2-pentanol 231.54
    propionitrile 199.18
    vinylene carbonate 222.83
    1,1,2-trichlorotrifluoroethane 393.72
    DMS 152.51
    cumene 55.28
    2-octanol 190.02
    2-hexanone 216.41
    octyl acetate 155.85
    limonene 110.48
    1,2-dimethoxyethane 721.68
    ethyl orthosilicate 116.61
    tributyl phosphate 115.96
    diacetone alcohol 345.36
    N,N-dimethylaniline 132.91
    acrylonitrile 184.11
    aniline 158.26
    1,3-propanediol 704.59
    bromobenzene 51.12
    dibromomethane 119.43
    1,1,2,2-tetrachloroethane 183.85
    2-methyl-cyclohexyl acetate 177.08
    tetrabutyl urea 154.16
    diisobutyl methanol 146.19
    2-phenylethanol 183.17
    styrene 55.13
    dioctyl adipate 162.21
    dimethyl sulfate 152.1
    ethyl butyrate 172.75
    methyl lactate 233.55
    butyl lactate 198.56
    diethyl carbonate 110.0
    propanediol butyl ether 488.29
    triethyl orthoformate 175.36
    p-tert-butyltoluene 67.85
    methyl 4-tert-butylbenzoate 208.86
    morpholine 961.84
    tert-butylamine 463.03
    n-dodecanol 129.04
    dimethoxymethane 464.43
    ethylene carbonate 215.87
    cyrene 281.59
    2-ethoxyethyl acetate 211.27
    2-ethylhexyl acetate 181.15
    1,2,4-trichlorobenzene 99.32
    4-methylpyridine 207.49
    dibutyl ether 227.06
    2,6-dimethyl-4-heptanol 146.19
    DEF 335.51
    dimethyl isosorbide 445.2
    tetrachloroethylene 143.53
    eugenol 207.85
    triacetin 247.31
    span 80 385.22
    1,4-butanediol 290.28
    1,1-dichloroethane 114.99
    2-methyl-1-pentanol 299.51
    methyl formate 275.0
    2-methyl-1-butanol 402.77
    n-decane 40.75
    butyronitrile 235.07
    3,7-dimethyl-1-octanol 235.02
    1-chlorooctane 102.94
    1-chlorotetradecane 41.86
    n-nonane 39.48
    undecane 27.53
    tert-butylcyclohexane 47.58
    cyclooctane 36.29
    cyclopentanol 457.57
    tetrahydropyran 627.46
    tert-amyl methyl ether 303.67
    2,5,8-trioxanonane 529.65
    1-hexene 152.75
    2-isopropoxyethanol 372.14
    2,2,2-trifluoroethanol 219.97
    methyl butyrate 210.3

    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 (Turkey) 2 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.1%