3,7,8,9-Tetramethyldec-4-yne-2,6-diol

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  • Identifiers

    CAS number
    1333-17-1

    Molecular formula
    C14H26O2

    SMILES
    CC(C)C(C)C(C)C(C#CC(C)C(C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 68.6%
    Sandalwood 38.35%
    Amber 37.25%
    Dry 37.16%
    Mint 31.25%
    Vetiver 29.9%
    Floral 28.08%
    Musk 25.97%
    Cooling 24.15%
    Odorless 23.63%

     

    Flavor
    Bitter 33.82%
    Odorless 24.55%
    Bland 23.61%
    Mild 21.33%
    Yeasty 19.94%
    Cedarleaf 19.21%
    Nitrile 19.02%
    Bloody 18.96%
    Leathery 18.67%
    Glue 18.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.08 (weak base)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Flash point

    • 137.2 ˚C est.

  • Synonyms

    • 1333-17-1
    • 3,7,8,9-tetramethyldec-4-yne-2,6-diol
    • WWPTYZFXUOTSDY-UHFFFAOYSA-N
    • EINECS 215-580-2
    • NS00020470
    • 1333-17-1

  • Applications

    3,7,8,9-Tetramethyldec-4-yne-2,6-diol is a difunctional diol bearing an alkyne moiety, used as an intermediate in organic synthesis to access specialty polymers and copolymers. It can function as a monomer or a crosslinking component in polymer systems and may serve as a reactive crosslinker in UV-curable coatings and adhesives due to its diol functionality and the alkyne enabling click-type or UV/thermal crosslinking. It also serves as a building block for electronic materials and related industrial formulations depending on the required functionality. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 648.8
    methanol 744.12
    isopropanol 500.0
    water 2.39
    ethyl acetate 419.98
    n-propanol 417.54
    acetone 363.95
    n-butanol 392.38
    acetonitrile 185.22
    DMF 353.6
    toluene 70.65
    isobutanol 298.84
    1,4-dioxane 876.68
    methyl acetate 290.92
    THF 971.63
    2-butanone 276.95
    n-pentanol 256.96
    sec-butanol 313.12
    n-hexane 47.8
    ethylene glycol 147.74
    NMP 335.93
    cyclohexane 69.8
    DMSO 511.09
    n-butyl acetate 392.25
    n-octanol 171.53
    chloroform 368.81
    n-propyl acetate 243.5
    acetic acid 521.95
    dichloromethane 259.75
    cyclohexanone 486.85
    propylene glycol 231.41
    isopropyl acetate 319.18
    DMAc 305.71
    2-ethoxyethanol 472.74
    isopentanol 369.28
    n-heptane 35.11
    ethyl formate 197.24
    1,2-dichloroethane 241.0
    n-hexanol 475.64
    2-methoxyethanol 714.84
    isobutyl acetate 178.87
    tetrachloromethane 106.19
    n-pentyl acetate 199.03
    transcutol 1326.0
    n-heptanol 212.18
    ethylbenzene 65.06
    MIBK 228.55
    2-propoxyethanol 659.51
    tert-butanol 817.05
    MTBE 540.23
    2-butoxyethanol 372.45
    propionic acid 318.52
    o-xylene 72.57
    formic acid 211.08
    diethyl ether 364.66
    m-xylene 82.33
    p-xylene 89.92
    chlorobenzene 120.64
    dimethyl carbonate 85.82
    n-octane 15.66
    formamide 255.27
    cyclopentanone 524.34
    2-pentanone 303.1
    anisole 159.32
    cyclopentyl methyl ether 384.44
    gamma-butyrolactone 564.49
    1-methoxy-2-propanol 559.66
    pyridine 229.86
    3-pentanone 181.83
    furfural 411.12
    n-dodecane 9.88
    diethylene glycol 476.21
    diisopropyl ether 151.33
    tert-amyl alcohol 485.77
    acetylacetone 373.58
    n-hexadecane 10.85
    acetophenone 158.34
    methyl propionate 228.29
    isopentyl acetate 361.69
    trichloroethylene 404.71
    n-nonanol 145.05
    cyclohexanol 332.47
    benzyl alcohol 137.45
    2-ethylhexanol 232.91
    isooctanol 169.99
    dipropyl ether 232.8
    1,2-dichlorobenzene 133.46
    ethyl lactate 131.06
    propylene carbonate 306.72
    n-methylformamide 224.75
    2-pentanol 299.46
    n-pentane 34.41
    1-propoxy-2-propanol 497.03
    1-methoxy-2-propyl acetate 397.53
    2-(2-methoxypropoxy) propanol 275.64
    mesitylene 68.06
    ε-caprolactone 436.92
    p-cymene 68.38
    epichlorohydrin 514.6
    1,1,1-trichloroethane 243.99
    2-aminoethanol 306.39
    morpholine-4-carbaldehyde 504.42
    sulfolane 604.52
    2,2,4-trimethylpentane 28.01
    2-methyltetrahydrofuran 586.05
    n-hexyl acetate 277.6
    isooctane 26.64
    2-(2-butoxyethoxy)ethanol 426.82
    sec-butyl acetate 187.02
    tert-butyl acetate 403.94
    decalin 33.34
    glycerin 311.21
    diglyme 729.67
    acrylic acid 221.25
    isopropyl myristate 100.36
    n-butyric acid 505.62
    acetyl acetate 253.73
    di(2-ethylhexyl) phthalate 101.38
    ethyl propionate 186.51
    nitromethane 509.3
    1,2-diethoxyethane 368.79
    benzonitrile 144.81
    trioctyl phosphate 89.01
    1-bromopropane 127.51
    gamma-valerolactone 718.63
    n-decanol 104.43
    triethyl phosphate 107.87
    4-methyl-2-pentanol 211.16
    propionitrile 161.21
    vinylene carbonate 245.84
    1,1,2-trichlorotrifluoroethane 435.33
    DMS 174.25
    cumene 63.8
    2-octanol 131.33
    2-hexanone 212.49
    octyl acetate 128.66
    limonene 111.69
    1,2-dimethoxyethane 600.71
    ethyl orthosilicate 121.93
    tributyl phosphate 100.81
    diacetone alcohol 421.73
    N,N-dimethylaniline 116.82
    acrylonitrile 159.31
    aniline 145.29
    1,3-propanediol 491.79
    bromobenzene 109.31
    dibromomethane 188.35
    1,1,2,2-tetrachloroethane 398.37
    2-methyl-cyclohexyl acetate 199.72
    tetrabutyl urea 114.23
    diisobutyl methanol 142.31
    2-phenylethanol 201.78
    styrene 63.2
    dioctyl adipate 148.3
    dimethyl sulfate 162.06
    ethyl butyrate 240.77
    methyl lactate 154.95
    butyl lactate 198.4
    diethyl carbonate 143.27
    propanediol butyl ether 330.74
    triethyl orthoformate 186.2
    p-tert-butyltoluene 73.21
    methyl 4-tert-butylbenzoate 202.7
    morpholine 853.62
    tert-butylamine 454.11
    n-dodecanol 76.52
    dimethoxymethane 282.94
    ethylene carbonate 236.92
    cyrene 223.95
    2-ethoxyethyl acetate 290.41
    2-ethylhexyl acetate 260.71
    1,2,4-trichlorobenzene 158.23
    4-methylpyridine 212.82
    dibutyl ether 152.68
    2,6-dimethyl-4-heptanol 142.31
    DEF 262.61
    dimethyl isosorbide 401.07
    tetrachloroethylene 316.85
    eugenol 198.21
    triacetin 233.15
    span 80 265.72
    1,4-butanediol 171.08
    1,1-dichloroethane 221.37
    2-methyl-1-pentanol 232.93
    methyl formate 171.3
    2-methyl-1-butanol 289.25
    n-decane 18.7
    butyronitrile 200.43
    3,7-dimethyl-1-octanol 163.45
    1-chlorooctane 84.92
    1-chlorotetradecane 29.4
    n-nonane 19.23
    undecane 12.97
    tert-butylcyclohexane 37.55
    cyclooctane 23.56
    cyclopentanol 321.32
    tetrahydropyran 656.65
    tert-amyl methyl ether 299.1
    2,5,8-trioxanonane 419.07
    1-hexene 124.33
    2-isopropoxyethanol 344.92
    2,2,2-trifluoroethanol 189.86
    methyl butyrate 252.8

    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