1-Dodecyne

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  • Identifiers

    CAS number
    765-03-7

    Molecular formula
    C12H22

    SMILES
    CCCCCCCCCCC#C

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Citrus 54.47%
    Green 53.38%
    Waxy 50.44%
    Fresh 49.09%
    Fatty 43.66%
    Fruity 41.77%
    Floral 39.18%
    Metallic 34.71%
    Orange 33.94%
    Aldehydic 33.53%

     

    Flavor
    Delicate 21.17%
    Slightly waxy 20.58%
    Waxy 20.36%
    Alkane 19.98%
    Skunky 19.79%
    Diterpene 19.5%
    Low 19.38%
    Coumarinic 19.26%
    Incense 19.16%
    Terpentine 19.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    8.27 (weak base)

    Molecular weight
    166.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point

    • 77.33 ˚C est.

  • Synonyms

    • 1-Dodecyne
    • 765-03-7
    • 1-C12H22
    • EINECS 212-134-9
    • DTXSID4061094
    • RefChem:75657
    • DTXCID9047885
    • ZVDBUOGYYYNMQI-UHFFFAOYSA-N
    • dodec-1-yne
    • Dodecyne
    • MFCD00008960
    • 1-Dodecyne, 98%
    • Decylacetylene
    • 1dodecyne
    • 1 -dodecyne
    • dodec-1-yn
    • VFQ6MTZ92V
    • SCHEMBL7529
    • SCHEMBL128011
    • SCHEMBL313297
    • SCHEMBL980827
    • SCHEMBL3817511
    • SCHEMBL9214224
    • SCHEMBL17537167
    • SCHEMBL21852745
    • SBB008732
    • AKOS015836222
    • AS-46788
    • SY049655
    • DB-056072
    • CS-0180906
    • D0997
    • NS00037799
    • F10501
    • 765-03-7

  • Applications

    1-Dodecyne (CAS 765-03-7) is a long-chain terminal alkyne that is primarily used as an organic-synthesis building block and a precursor for introducing terminal alkyne functionality. In practice, it is employed in Sonogashira coupling and click-chemistry workflows to construct conjugated small molecules and to prepare alkyne-terminated polymers. It also serves as a precursor for surface modification and the formation of self-assembled monolayers on metal substrates (such as gold) for sensors and electronic interfaces. Additionally, it is used as a feedstock to prepare alkyne-terminated polymers and other advanced materials incorporating long alkyl chains.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3999.73
    methanol 2598.56
    isopropanol 3795.01
    water 0.02
    ethyl acetate 6544.34
    n-propanol 3853.66
    acetone 8101.95
    n-butanol 4512.65
    acetonitrile 3556.73
    DMF 3172.53
    toluene 2270.17
    isobutanol 2902.73
    1,4-dioxane 7409.46
    methyl acetate 3796.05
    THF 13397.47
    2-butanone 6259.44
    n-pentanol 2821.56
    sec-butanol 3384.96
    n-hexane 5300.2
    ethylene glycol 233.5
    NMP 2107.41
    cyclohexane 8196.79
    DMSO 5242.64
    n-butyl acetate 8567.47
    n-octanol 1303.94
    chloroform 8445.24
    n-propyl acetate 4723.52
    acetic acid 1748.43
    dichloromethane 8781.3
    cyclohexanone 8838.05
    propylene glycol 520.4
    isopropyl acetate 3726.76
    DMAc 1773.36
    2-ethoxyethanol 2481.72
    isopentanol 3581.27
    n-heptane 5552.29
    ethyl formate 2528.62
    1,2-dichloroethane 7013.61
    n-hexanol 5069.6
    2-methoxyethanol 3675.65
    isobutyl acetate 2415.31
    tetrachloromethane 2219.82
    n-pentyl acetate 2919.41
    transcutol 6724.13
    n-heptanol 1422.03
    ethylbenzene 1187.78
    MIBK 3069.96
    2-propoxyethanol 4295.65
    tert-butanol 4241.62
    MTBE 6023.13
    2-butoxyethanol 1838.91
    propionic acid 2103.1
    o-xylene 1000.02
    formic acid 193.95
    diethyl ether 11642.37
    m-xylene 1208.01
    p-xylene 1347.33
    chlorobenzene 2225.35
    dimethyl carbonate 645.43
    n-octane 1030.49
    formamide 413.34
    cyclopentanone 7435.76
    2-pentanone 7031.43
    anisole 1487.99
    cyclopentyl methyl ether 7257.95
    gamma-butyrolactone 5286.11
    1-methoxy-2-propanol 3047.59
    pyridine 5070.85
    3-pentanone 4401.59
    furfural 2821.81
    n-dodecane 290.43
    diethylene glycol 1433.2
    diisopropyl ether 3059.41
    tert-amyl alcohol 3150.13
    acetylacetone 3757.89
    n-hexadecane 357.34
    acetophenone 1247.15
    methyl propionate 3373.76
    isopentyl acetate 5069.89
    trichloroethylene 7536.43
    n-nonanol 1092.48
    cyclohexanol 4520.59
    benzyl alcohol 944.26
    2-ethylhexanol 3530.08
    isooctanol 1162.29
    dipropyl ether 11951.82
    1,2-dichlorobenzene 1748.47
    ethyl lactate 806.71
    propylene carbonate 2616.23
    n-methylformamide 1487.02
    2-pentanol 3741.85
    n-pentane 3782.22
    1-propoxy-2-propanol 4772.22
    1-methoxy-2-propyl acetate 3225.83
    2-(2-methoxypropoxy) propanol 940.08
    mesitylene 829.6
    ε-caprolactone 5358.15
    p-cymene 1013.88
    epichlorohydrin 5793.74
    1,1,1-trichloroethane 5757.23
    2-aminoethanol 774.24
    morpholine-4-carbaldehyde 2659.76
    sulfolane 4556.6
    2,2,4-trimethylpentane 624.79
    2-methyltetrahydrofuran 10042.24
    n-hexyl acetate 2976.82
    isooctane 629.79
    2-(2-butoxyethoxy)ethanol 1684.46
    sec-butyl acetate 2554.96
    tert-butyl acetate 3337.12
    decalin 1120.83
    glycerin 520.84
    diglyme 3992.02
    acrylic acid 1095.95
    isopropyl myristate 954.89
    n-butyric acid 4657.49
    acetyl acetate 2200.19
    di(2-ethylhexyl) phthalate 460.67
    ethyl propionate 3172.15
    nitromethane 3103.25
    1,2-diethoxyethane 6546.54
    benzonitrile 1710.16
    trioctyl phosphate 483.59
    1-bromopropane 8437.62
    gamma-valerolactone 5972.59
    n-decanol 747.88
    triethyl phosphate 1047.83
    4-methyl-2-pentanol 1633.88
    propionitrile 3952.01
    vinylene carbonate 1962.17
    1,1,2-trichlorotrifluoroethane 2657.61
    DMS 1213.76
    cumene 663.0
    2-octanol 1048.3
    2-hexanone 4973.11
    octyl acetate 1030.78
    limonene 2379.32
    1,2-dimethoxyethane 5926.13
    ethyl orthosilicate 1226.7
    tributyl phosphate 705.62
    diacetone alcohol 2255.39
    N,N-dimethylaniline 842.99
    acrylonitrile 2737.26
    aniline 1614.38
    1,3-propanediol 1486.84
    bromobenzene 2834.11
    dibromomethane 7985.86
    1,1,2,2-tetrachloroethane 6510.51
    2-methyl-cyclohexyl acetate 1899.52
    tetrabutyl urea 867.54
    diisobutyl methanol 2005.17
    2-phenylethanol 1288.23
    styrene 1532.15
    dioctyl adipate 1069.67
    dimethyl sulfate 823.59
    ethyl butyrate 5420.97
    methyl lactate 734.19
    butyl lactate 1356.75
    diethyl carbonate 2111.52
    propanediol butyl ether 1092.55
    triethyl orthoformate 2904.98
    p-tert-butyltoluene 954.57
    methyl 4-tert-butylbenzoate 821.02
    morpholine 8986.7
    tert-butylamine 3658.63
    n-dodecanol 564.02
    dimethoxymethane 3355.48
    ethylene carbonate 2230.31
    cyrene 680.4
    2-ethoxyethyl acetate 2484.73
    2-ethylhexyl acetate 4351.35
    1,2,4-trichlorobenzene 1578.88
    4-methylpyridine 4116.44
    dibutyl ether 5435.91
    2,6-dimethyl-4-heptanol 2005.17
    DEF 4438.9
    dimethyl isosorbide 1698.44
    tetrachloroethylene 4700.35
    eugenol 690.29
    triacetin 1406.34
    span 80 1105.94
    1,4-butanediol 531.81
    1,1-dichloroethane 7056.26
    2-methyl-1-pentanol 2087.88
    methyl formate 1041.19
    2-methyl-1-butanol 2915.32
    n-decane 760.81
    butyronitrile 5522.02
    3,7-dimethyl-1-octanol 1396.64
    1-chlorooctane 1708.96
    1-chlorotetradecane 477.47
    n-nonane 1029.39
    undecane 435.29
    tert-butylcyclohexane 884.67
    cyclooctane 2247.17
    cyclopentanol 3931.58
    tetrahydropyran 15995.5
    tert-amyl methyl ether 3633.38
    2,5,8-trioxanonane 1833.87
    1-hexene 8284.15
    2-isopropoxyethanol 1831.92
    2,2,2-trifluoroethanol 381.54
    methyl butyrate 4386.7

    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