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

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  • Identifiers

    CAS number
    13741-21-4

    Molecular formula
    C10H18O2

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

    Retention indicies (RI)

    • Carbowax: 1927.0

  • Odor profile

    Floral 74.23%
    Woody 61.48%
    Fresh 58.15%
    Sweet 55.56%
    Citrus 44.68%
    Herbal 38.85%
    Green 35.82%
    Lavender 34.61%
    Lily 33.88%
    Bergamot 32.94%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    9.93 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    235°C

    Flash point est.
    118.42 ˚C

  • Synonyms

    • 2,6-Dimethylocta-3,7-diene-2,6-diol
    • 13741-21-4
    • trans-3,7-Dimethylocta-1,5-diene-3,7-diol
    • (E)-3,7-Dimethylocta-1,5-diene-3,7-diol; trans-3,7-Dimethyl-1,5-octadien-3,7-diol
    • DTXSID901294708

  • Applications

    2,6-Dimethylocta-3,7-diene-2,6-diol (CAS 13741-21-4) is a C10 terpene-like diol bearing two highly substituted allylic hydroxyls and is mainly used as a versatile intermediate: as a building block for cyclic ethers and acetonide-type protections, for epoxidation or ozonolysis followed by rearrangement to carbonyls/lactones/diepoxides, for conversion to diacrylates/dimethacrylates in UV-curable inks, coatings, and adhesives, and for forming urethane/carbonate linkages in functional polymer networks; in fragrance R&D it provides an entry to assemble isoprenoid backbones and to tune fresh/citrus/green notes; in pharmaceutical and agrochemical discovery it offers a functionalized C10 scaffold for library synthesis; it is also used as an analytical reference and as a model substrate to probe selectivity in catalytic transformations (oxidation, isomerization, hydroformylation, cyclization) of diene–diol systems.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 518.39
    methanol 778.51
    isopropanol 335.6
    water 29.12
    ethyl acetate 134.1
    n-propanol 329.18
    acetone 184.6
    n-butanol 310.92
    acetonitrile 112.49
    DMF 428.1
    toluene 39.82
    isobutanol 203.17
    1,4-dioxane 436.7
    methyl acetate 142.24
    THF 545.18
    2-butanone 153.31
    n-pentanol 196.6
    sec-butanol 251.82
    n-hexane 44.08
    ethylene glycol 153.63
    NMP 377.02
    cyclohexane 41.39
    DMSO 237.9
    n-butyl acetate 116.19
    n-octanol 168.73
    chloroform 121.53
    n-propyl acetate 108.15
    acetic acid 330.29
    dichloromethane 88.38
    cyclohexanone 226.93
    propylene glycol 267.19
    isopropyl acetate 103.87
    DMAc 413.83
    2-ethoxyethanol 297.75
    isopentanol 213.35
    n-heptane 43.27
    ethyl formate 110.33
    1,2-dichloroethane 54.41
    n-hexanol 254.9
    2-methoxyethanol 539.28
    isobutyl acetate 88.68
    tetrachloromethane 31.98
    n-pentyl acetate 99.76
    transcutol 710.91
    n-heptanol 153.21
    ethylbenzene 32.72
    MIBK 104.73
    2-propoxyethanol 389.52
    tert-butanol 323.56
    MTBE 196.9
    2-butoxyethanol 242.02
    propionic acid 235.28
    o-xylene 45.42
    formic acid 235.77
    diethyl ether 177.94
    m-xylene 41.59
    p-xylene 48.34
    chlorobenzene 39.17
    dimethyl carbonate 80.75
    n-octane 15.76
    formamide 205.63
    cyclopentanone 243.9
    2-pentanone 137.24
    anisole 98.01
    cyclopentyl methyl ether 226.7
    gamma-butyrolactone 275.62
    1-methoxy-2-propanol 385.3
    pyridine 118.25
    3-pentanone 109.33
    furfural 206.99
    n-dodecane 13.18
    diethylene glycol 310.55
    diisopropyl ether 64.94
    tert-amyl alcohol 271.3
    acetylacetone 129.52
    n-hexadecane 13.77
    acetophenone 90.5
    methyl propionate 142.73
    isopentyl acetate 116.25
    trichloroethylene 84.45
    n-nonanol 145.23
    cyclohexanol 214.92
    benzyl alcohol 89.35
    2-ethylhexanol 144.78
    isooctanol 106.96
    dipropyl ether 145.49
    1,2-dichlorobenzene 41.35
    ethyl lactate 102.96
    propylene carbonate 160.5
    n-methylformamide 235.17
    2-pentanol 189.87
    n-pentane 40.99
    1-propoxy-2-propanol 278.1
    1-methoxy-2-propyl acetate 159.13
    2-(2-methoxypropoxy) propanol 237.14
    mesitylene 34.02
    ε-caprolactone 227.2
    p-cymene 37.74
    epichlorohydrin 200.48
    1,1,1-trichloroethane 57.0
    2-aminoethanol 306.23
    morpholine-4-carbaldehyde 452.73
    sulfolane 260.91
    2,2,4-trimethylpentane 24.27
    2-methyltetrahydrofuran 310.42
    n-hexyl acetate 171.4
    isooctane 16.88
    2-(2-butoxyethoxy)ethanol 312.78
    sec-butyl acetate 84.88
    tert-butyl acetate 124.82
    decalin 23.85
    glycerin 343.74
    diglyme 418.32
    acrylic acid 181.28
    isopropyl myristate 71.53
    n-butyric acid 253.79
    acetyl acetate 94.54
    di(2-ethylhexyl) phthalate 77.46
    ethyl propionate 100.9
    nitromethane 270.69
    1,2-diethoxyethane 175.82
    benzonitrile 71.55
    trioctyl phosphate 62.87
    1-bromopropane 50.87
    gamma-valerolactone 380.23
    n-decanol 104.26
    triethyl phosphate 68.72
    4-methyl-2-pentanol 115.91
    propionitrile 111.91
    vinylene carbonate 134.64
    1,1,2-trichlorotrifluoroethane 222.35
    DMS 101.35
    cumene 33.6
    2-octanol 100.4
    2-hexanone 116.2
    octyl acetate 95.68
    limonene 65.17
    1,2-dimethoxyethane 409.65
    ethyl orthosilicate 74.83
    tributyl phosphate 73.46
    diacetone alcohol 185.95
    N,N-dimethylaniline 88.41
    acrylonitrile 108.3
    aniline 87.64
    1,3-propanediol 335.35
    bromobenzene 27.9
    dibromomethane 63.47
    1,1,2,2-tetrachloroethane 100.07
    2-methyl-cyclohexyl acetate 109.81
    tetrabutyl urea 98.83
    diisobutyl methanol 77.63
    2-phenylethanol 108.32
    styrene 32.47
    dioctyl adipate 103.76
    dimethyl sulfate 105.99
    ethyl butyrate 101.36
    methyl lactate 144.96
    butyl lactate 114.85
    diethyl carbonate 73.7
    propanediol butyl ether 262.37
    triethyl orthoformate 106.44
    p-tert-butyltoluene 41.19
    methyl 4-tert-butylbenzoate 134.01
    morpholine 502.04
    tert-butylamine 212.59
    n-dodecanol 76.78
    dimethoxymethane 285.91
    ethylene carbonate 126.33
    cyrene 187.85
    2-ethoxyethyl acetate 121.32
    2-ethylhexyl acetate 98.15
    1,2,4-trichlorobenzene 57.77
    4-methylpyridine 118.21
    dibutyl ether 128.16
    2,6-dimethyl-4-heptanol 77.63
    DEF 199.42
    dimethyl isosorbide 291.32
    tetrachloroethylene 75.03
    eugenol 134.67
    triacetin 155.51
    span 80 226.35
    1,4-butanediol 146.67
    1,1-dichloroethane 58.05
    2-methyl-1-pentanol 151.72
    methyl formate 157.36
    2-methyl-1-butanol 201.5
    n-decane 23.67
    butyronitrile 123.38
    3,7-dimethyl-1-octanol 124.67
    1-chlorooctane 60.7
    1-chlorotetradecane 26.99
    n-nonane 22.5
    undecane 16.77
    tert-butylcyclohexane 26.73
    cyclooctane 19.23
    cyclopentanol 232.43
    tetrahydropyran 322.65
    tert-amyl methyl ether 164.84
    2,5,8-trioxanonane 317.53
    1-hexene 83.01
    2-isopropoxyethanol 197.34
    2,2,2-trifluoroethanol 118.34
    methyl butyrate 125.37

    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%
Spike lavender (Spain) 3 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.7%
Myrtle berry (Italy) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.3%
Mandarin (Italy) 5 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Spike lavender (Spain) 4 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.4%
Ho leaf (Japan) 1a 8022-91-1 Cinnamomum camphora Sieb. linaloolifera Fujita, fam. Lauraceae 5.0%
Ho leaf (Japan) 1b 8022-91-1 Cinnamomum camphora Sieb. linaloolifera Fujita, fam. Lauraceae 0.1%
Michelia alba leaf (Japan) Michelia alba DC., fam. Magnoliaceae 2.9%