2,6-Dimethyl-7-octene-2,3,6-triol

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  • Identifiers

    CAS number
    73815-21-1

    Molecular formula
    C10H20O3

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 50.66%
    Sweet 49.8%
    Floral 35.43%
    Odorless 29.99%
    Fresh 28.44%
    Mint 28.09%
    Balsamic 27.89%
    Dry 24.93%
    Cooling 24.48%
    Camphoreous 23.91%

     

    Flavor
    Fruity 40.02%
    Herbal 35.07%
    Sweet 34.13%
    Tropical 29.79%
    Mild 27.89%
    Floral 26.56%
    Green 25.97%
    Herb 25.97%
    Oily 25.79%
    Woody 25.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    9.55 (weak base)

    Molecular weight
    188.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 133.92 ˚C est.

  • Synonyms

    • 2,6-Dimethyl-7-octene-2,3,6-triol
    • 73815-21-1
    • RefChem:1060277
    • 2,6-Dimethyloct-7-ene-2,3,6-triol
    • 3,7-Dimethyloct-1-ene-3,6,7-triol
    • orb1683785
    • SCHEMBL26624407
    • DTXSID60570395
    • CHEBI:171754
    • CNYFGLAROLNGDG-UHFFFAOYSA-N
    • HY-N1680
    • LMFA05000610
    • AKOS022184814
    • 3,7-Dimethyloct-1-en-3,6,7-triol
    • FS-9003
    • DA-49280
    • CS-0017342
    • 73815-21-1

  • Applications

    2,6-Dimethyl-7-octene-2,3,6-triol (CAS 73815-21-1) is primarily encountered as a reactive polyol and building block in industrial chemistry. It can serve as a crosslinking component for polyurethane resins and for polyester resins, enabling network formation in coatings and adhesives. It also provides functional handles on the olefin and triol motifs for further modification (e.g., additions, oxidations, or ether/acetal formation), supporting its use as an intermediate in organic synthesis. It may be evaluated as a precursor for specialty resins and sealants. Additionally, as a polyfunctional building block, it can function as a feedstock for the preparation of specialty polymers in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 370.54
    methanol 754.01
    isopropanol 217.6
    water 102.23
    ethyl acetate 49.55
    n-propanol 211.75
    acetone 87.06
    n-butanol 186.84
    acetonitrile 49.8
    DMF 427.09
    toluene 16.43
    isobutanol 131.77
    1,4-dioxane 323.85
    methyl acetate 53.15
    THF 387.34
    2-butanone 59.09
    n-pentanol 113.55
    sec-butanol 142.8
    n-hexane 9.31
    ethylene glycol 225.81
    NMP 271.65
    cyclohexane 15.95
    DMSO 281.03
    n-butyl acetate 37.53
    n-octanol 77.15
    chloroform 39.44
    n-propyl acetate 38.48
    acetic acid 269.39
    dichloromethane 34.49
    cyclohexanone 123.42
    propylene glycol 252.17
    isopropyl acetate 43.14
    DMAc 325.01
    2-ethoxyethanol 288.09
    isopentanol 133.58
    n-heptane 12.27
    ethyl formate 70.95
    1,2-dichloroethane 24.23
    n-hexanol 119.53
    2-methoxyethanol 557.25
    isobutyl acetate 33.49
    tetrachloromethane 13.2
    n-pentyl acetate 36.16
    transcutol 436.23
    n-heptanol 84.18
    ethylbenzene 15.39
    MIBK 56.91
    2-propoxyethanol 261.21
    tert-butanol 244.57
    MTBE 89.53
    2-butoxyethanol 169.08
    propionic acid 132.62
    o-xylene 23.54
    formic acid 410.22
    diethyl ether 63.97
    m-xylene 21.44
    p-xylene 22.31
    chlorobenzene 15.85
    dimethyl carbonate 43.1
    n-octane 5.91
    formamide 352.27
    cyclopentanone 153.69
    2-pentanone 57.33
    anisole 51.18
    cyclopentyl methyl ether 126.17
    gamma-butyrolactone 174.0
    1-methoxy-2-propanol 347.48
    pyridine 67.17
    3-pentanone 39.07
    furfural 157.19
    n-dodecane 4.39
    diethylene glycol 279.21
    diisopropyl ether 25.35
    tert-amyl alcohol 170.76
    acetylacetone 74.03
    n-hexadecane 4.49
    acetophenone 52.16
    methyl propionate 54.46
    isopentyl acetate 45.3
    trichloroethylene 38.66
    n-nonanol 67.77
    cyclohexanol 131.86
    benzyl alcohol 71.38
    2-ethylhexanol 64.36
    isooctanol 63.37
    dipropyl ether 51.28
    1,2-dichlorobenzene 17.77
    ethyl lactate 55.66
    propylene carbonate 94.02
    n-methylformamide 231.73
    2-pentanol 99.37
    n-pentane 10.65
    1-propoxy-2-propanol 160.92
    1-methoxy-2-propyl acetate 76.73
    2-(2-methoxypropoxy) propanol 143.02
    mesitylene 19.13
    ε-caprolactone 116.45
    p-cymene 16.22
    epichlorohydrin 135.77
    1,1,1-trichloroethane 18.15
    2-aminoethanol 339.71
    morpholine-4-carbaldehyde 389.59
    sulfolane 194.53
    2,2,4-trimethylpentane 7.83
    2-methyltetrahydrofuran 174.39
    n-hexyl acetate 60.36
    isooctane 5.88
    2-(2-butoxyethoxy)ethanol 204.81
    sec-butyl acetate 31.18
    tert-butyl acetate 63.45
    decalin 8.7
    glycerin 398.61
    diglyme 301.33
    acrylic acid 116.82
    isopropyl myristate 28.45
    n-butyric acid 151.58
    acetyl acetate 40.93
    di(2-ethylhexyl) phthalate 38.11
    ethyl propionate 36.37
    nitromethane 202.28
    1,2-diethoxyethane 81.89
    benzonitrile 35.95
    trioctyl phosphate 31.34
    1-bromopropane 15.07
    gamma-valerolactone 276.38
    n-decanol 48.49
    triethyl phosphate 32.0
    4-methyl-2-pentanol 66.98
    propionitrile 41.58
    vinylene carbonate 80.86
    1,1,2-trichlorotrifluoroethane 165.95
    DMS 38.35
    cumene 16.75
    2-octanol 44.15
    2-hexanone 45.4
    octyl acetate 38.56
    limonene 27.02
    1,2-dimethoxyethane 335.17
    ethyl orthosilicate 34.92
    tributyl phosphate 30.67
    diacetone alcohol 135.29
    N,N-dimethylaniline 57.26
    acrylonitrile 51.45
    aniline 52.59
    1,3-propanediol 381.77
    bromobenzene 10.91
    dibromomethane 21.41
    1,1,2,2-tetrachloroethane 44.84
    2-methyl-cyclohexyl acetate 50.73
    tetrabutyl urea 47.23
    diisobutyl methanol 39.84
    2-phenylethanol 63.31
    styrene 14.98
    dioctyl adipate 45.76
    dimethyl sulfate 70.27
    ethyl butyrate 37.33
    methyl lactate 92.17
    butyl lactate 54.79
    diethyl carbonate 26.39
    propanediol butyl ether 176.69
    triethyl orthoformate 44.31
    p-tert-butyltoluene 18.08
    methyl 4-tert-butylbenzoate 75.37
    morpholine 387.26
    tert-butylamine 127.46
    n-dodecanol 35.01
    dimethoxymethane 208.87
    ethylene carbonate 72.36
    cyrene 143.63
    2-ethoxyethyl acetate 55.57
    2-ethylhexyl acetate 33.92
    1,2,4-trichlorobenzene 25.62
    4-methylpyridine 62.75
    dibutyl ether 41.4
    2,6-dimethyl-4-heptanol 39.84
    DEF 112.43
    dimethyl isosorbide 184.53
    tetrachloroethylene 39.97
    eugenol 87.45
    triacetin 67.23
    span 80 123.32
    1,4-butanediol 147.57
    1,1-dichloroethane 17.92
    2-methyl-1-pentanol 85.77
    methyl formate 146.21
    2-methyl-1-butanol 116.28
    n-decane 7.63
    butyronitrile 53.57
    3,7-dimethyl-1-octanol 61.17
    1-chlorooctane 19.43
    1-chlorotetradecane 8.83
    n-nonane 7.13
    undecane 5.47
    tert-butylcyclohexane 8.84
    cyclooctane 8.21
    cyclopentanol 154.04
    tetrahydropyran 166.22
    tert-amyl methyl ether 75.92
    2,5,8-trioxanonane 235.42
    1-hexene 19.7
    2-isopropoxyethanol 162.83
    2,2,2-trifluoroethanol 111.43
    methyl butyrate 55.44

    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