2,4,7,9-Tetramethyl-5-decyne-4,7-diol

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  • Identifiers

    CAS number
    126-86-3

    Molecular formula
    C14H26O2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 66.15%
    Floral 41.15%
    Sweet 39.92%
    Dry 36.62%
    Amber 34.24%
    Musk 32.78%
    Mint 32.38%
    Sandalwood 28.39%
    Balsamic 27.85%
    Vetiver 27.02%

     

    Flavor
    Mild 31.39%
    Bitter 24.13%
    Odorless 23.44%
    Bland 22.12%
    Yeasty 20.85%
    Clary 19.55%
    Catty 19.42%
    Ocimene 19.39%
    Rose acetate 19.24%
    Mouldy 19.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.26 (weak base)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    270°C

    Flash point

    • 143.54 ˚C est.

  • Synonyms

    • 126-86-3
    • 2,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOL
    • Surfynol 104
    • 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-
    • TETRAMETHYL DECYNEDIOL
    • Surfynol 104A
    • Surfynol 104E
    • Syrfynol 104
    • 1,4-Diisobutyl-1,4-dimethylbutynediol
    • Acetylenol E 00
    • Zetasperse 1200
    • Olfine PD 301
    • Surynol 104
    • B9Y126NY8K
    • DTXSID7027041
    • NSC-5630
    • DTXCID307041
    • TMDD cpd
    • RefChem:443020
    • 204-809-1
    • 2,4,7,9-Tetramethyldec-5-yne-4,7-diol
    • Surfynol 104PA
    • 2,4,7,9-Tetramethyl-5-decyn-4,7-diol
    • NSC 5630
    • MFCD00008942
    • Surfynol TG
    • CAS-126-86-3
    • Surfynol 104BC
    • Surfynol 104H
    • Olfine AK 02
    • UNII-B9Y126NY8K
    • HSDB 5612
    • 4,7-Dihydroxy-2,4,7,9-tetramethyl-5-decyne
    • EINECS 204-809-1
    • TMDD
    • 1,4-dimethylbutynediol
    • AI3-07159
    • Surfynol PC (Salt/Mix)
    • EC 204-809-1
    • Surfynol TG-E (Salt/Mix)
    • SCHEMBL57923
    • LXOFYPKXCSULTL-UHFFFAOYA
    • Surfynol 104PG (Salt/Mix)
    • Surfynol PG-50 (Salt/Mix)
    • SCHEMBL9452078
    • CHEMBL2143891
    • NSC5630
    • Tox21_201648
    • Tox21_300559
    • MSK161478
    • SBB008941
    • TETRAMETHYL DECYNEDIOL [HSDB]
    • AKOS015841724
    • MSK161478-100M
    • 5-Decyne-4, 2,4,7,9-tetramethyl-
    • 2,7,9-Tetramethyl-5-decyne-4,7-diol
    • MSK161478-1000M
    • NCGC00164119-01
    • NCGC00164119-02
    • NCGC00164119-03
    • NCGC00254519-01
    • NCGC00259197-01
    • AC-16744
    • 2,4,7,9-Tetramethyl-5-decyn-4,7 diol
    • 2,4,7,9-Tetremathyl-5-decyne-4,7-diol
    • DB-041844
    • CS-0077080
    • NS00010677
    • ST50825770
    • T0724
    • A10891
    • F225113
    • 2,4,7,2,4,7,9-Tetramethyl-5-decyne-4,7-diol
    • Q2384542
    • 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (mix of (+/-) and meso)
    • 2,4,7,9-Tetramethyl-5-decyne-4,7-diol Solution in Methanol, 1000ug/mL
    • 2,4,7,9-Tetramethyl-5-decyne-4,7-diol Solution in Methanol, 100ug/mL
    • InChI=1/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
    • 126-86-3

  • Applications

    2,4,7,9-Tetramethyl-5-decyne-4,7-diol (CAS 126-86-3) is a difunctional monomer used as a crosslinking building block in polymer formulations. In industrial manufacturing it is commonly evaluated as a crosslinker and chain extender for polyurethane and epoxy resin systems. It also serves as a reactive diol in UV-curable coatings and inks, where the alkyne-containing backbone enables tailored network properties. As a precursor for specialty polymers, it supports the synthesis of polyester and polyurethane polyols and related materials. In adhesive and sealant formulations it contributes to enhanced mechanical strength and chemical resistance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1588.84
    methanol 1952.02
    isopropanol 1466.3
    water 5.19
    ethyl acetate 1370.56
    n-propanol 1582.08
    acetone 1687.8
    n-butanol 1633.05
    acetonitrile 803.32
    DMF 2667.39
    toluene 800.8
    isobutanol 1420.91
    1,4-dioxane 1799.85
    methyl acetate 1353.28
    THF 3265.07
    2-butanone 1686.48
    n-pentanol 1051.79
    sec-butanol 1520.63
    n-hexane 1225.21
    ethylene glycol 471.03
    NMP 2650.65
    cyclohexane 1180.13
    DMSO 1621.7
    n-butyl acetate 1420.36
    n-octanol 963.22
    chloroform 2623.84
    n-propyl acetate 937.69
    acetic acid 1532.77
    dichloromethane 1663.89
    cyclohexanone 2574.23
    propylene glycol 766.77
    isopropyl acetate 1237.58
    DMAc 2799.45
    2-ethoxyethanol 956.8
    isopentanol 1437.89
    n-heptane 557.82
    ethyl formate 911.42
    1,2-dichloroethane 1480.1
    n-hexanol 1966.28
    2-methoxyethanol 1688.44
    isobutyl acetate 796.58
    tetrachloromethane 779.76
    n-pentyl acetate 974.48
    transcutol 2220.34
    n-heptanol 807.08
    ethylbenzene 572.54
    MIBK 1166.34
    2-propoxyethanol 1932.23
    tert-butanol 2006.27
    MTBE 2121.69
    2-butoxyethanol 964.97
    propionic acid 1493.0
    o-xylene 644.2
    formic acid 695.6
    diethyl ether 1754.82
    m-xylene 705.29
    p-xylene 768.08
    chlorobenzene 869.95
    dimethyl carbonate 686.23
    n-octane 241.27
    formamide 544.88
    cyclopentanone 2517.56
    2-pentanone 1612.27
    anisole 716.54
    cyclopentyl methyl ether 2408.46
    gamma-butyrolactone 2372.81
    1-methoxy-2-propanol 1497.01
    pyridine 1159.98
    3-pentanone 1460.52
    furfural 1513.59
    n-dodecane 119.32
    diethylene glycol 1089.16
    diisopropyl ether 935.1
    tert-amyl alcohol 1830.34
    acetylacetone 1446.03
    n-hexadecane 136.51
    acetophenone 725.47
    methyl propionate 1335.04
    isopentyl acetate 1353.6
    trichloroethylene 2232.91
    n-nonanol 783.46
    cyclohexanol 1873.65
    benzyl alcohol 555.17
    2-ethylhexanol 1119.8
    isooctanol 621.22
    dipropyl ether 1226.13
    1,2-dichlorobenzene 772.77
    ethyl lactate 552.25
    propylene carbonate 1453.02
    n-methylformamide 1252.32
    2-pentanol 1345.76
    n-pentane 840.25
    1-propoxy-2-propanol 1418.96
    1-methoxy-2-propyl acetate 1242.25
    2-(2-methoxypropoxy) propanol 749.93
    mesitylene 535.74
    ε-caprolactone 2154.19
    p-cymene 415.49
    epichlorohydrin 2008.76
    1,1,1-trichloroethane 1948.06
    2-aminoethanol 864.78
    morpholine-4-carbaldehyde 1880.3
    sulfolane 2654.54
    2,2,4-trimethylpentane 405.57
    2-methyltetrahydrofuran 2641.2
    n-hexyl acetate 1560.17
    isooctane 309.6
    2-(2-butoxyethoxy)ethanol 1031.0
    sec-butyl acetate 809.25
    tert-butyl acetate 1540.45
    decalin 475.84
    glycerin 872.5
    diglyme 1759.64
    acrylic acid 1140.15
    isopropyl myristate 519.05
    n-butyric acid 1868.83
    acetyl acetate 922.73
    di(2-ethylhexyl) phthalate 408.33
    ethyl propionate 962.99
    nitromethane 1639.44
    1,2-diethoxyethane 928.63
    benzonitrile 665.53
    trioctyl phosphate 410.47
    1-bromopropane 1358.72
    gamma-valerolactone 2597.96
    n-decanol 508.58
    triethyl phosphate 482.03
    4-methyl-2-pentanol 868.36
    propionitrile 1003.2
    vinylene carbonate 1169.71
    1,1,2-trichlorotrifluoroethane 1734.66
    DMS 956.74
    cumene 451.6
    2-octanol 644.44
    2-hexanone 1101.96
    octyl acetate 664.5
    limonene 757.54
    1,2-dimethoxyethane 1646.33
    ethyl orthosilicate 517.85
    tributyl phosphate 482.35
    diacetone alcohol 1277.77
    N,N-dimethylaniline 611.46
    acrylonitrile 944.26
    aniline 796.15
    1,3-propanediol 1065.22
    bromobenzene 858.96
    dibromomethane 1462.99
    1,1,2,2-tetrachloroethane 2438.83
    2-methyl-cyclohexyl acetate 808.36
    tetrabutyl urea 593.44
    diisobutyl methanol 549.14
    2-phenylethanol 714.84
    styrene 564.32
    dioctyl adipate 572.99
    dimethyl sulfate 988.47
    ethyl butyrate 893.13
    methyl lactate 783.45
    butyl lactate 815.88
    diethyl carbonate 576.28
    propanediol butyl ether 1054.52
    triethyl orthoformate 739.17
    p-tert-butyltoluene 434.68
    methyl 4-tert-butylbenzoate 791.1
    morpholine 2157.27
    tert-butylamine 1568.09
    n-dodecanol 359.77
    dimethoxymethane 1515.78
    ethylene carbonate 1182.3
    cyrene 670.35
    2-ethoxyethyl acetate 902.31
    2-ethylhexyl acetate 1168.87
    1,2,4-trichlorobenzene 873.48
    4-methylpyridine 1397.25
    dibutyl ether 985.83
    2,6-dimethyl-4-heptanol 549.14
    DEF 1715.16
    dimethyl isosorbide 1075.77
    tetrachloroethylene 1641.75
    eugenol 610.84
    triacetin 932.44
    span 80 801.35
    1,4-butanediol 503.0
    1,1-dichloroethane 1715.09
    2-methyl-1-pentanol 959.61
    methyl formate 1051.15
    2-methyl-1-butanol 1494.42
    n-decane 274.03
    butyronitrile 1111.22
    3,7-dimethyl-1-octanol 767.29
    1-chlorooctane 761.09
    1-chlorotetradecane 240.93
    n-nonane 315.7
    undecane 170.62
    tert-butylcyclohexane 461.76
    cyclooctane 518.72
    cyclopentanol 1597.27
    tetrahydropyran 2676.67
    tert-amyl methyl ether 1785.17
    2,5,8-trioxanonane 994.11
    1-hexene 1535.75
    2-isopropoxyethanol 735.16
    2,2,2-trifluoroethanol 704.11
    methyl butyrate 1207.9

    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