1-Heptadecyne

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  • Identifiers

    CAS number
    26186-00-5

    Molecular formula
    C17H32

    SMILES
    CCCCCCCCCCCCCCCC#C

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Waxy 59.23%
    Fatty 43.37%
    Fresh 38.32%
    Citrus 36.84%
    Oily 34.08%
    Green 31.23%
    Meaty 29.63%
    Metallic 26.86%
    Fruity 26.1%
    Sweet 25.04%

     

    Flavor
    Alkane 28.89%
    Waxy 28.24%
    Bland 23.73%
    Delicate 21.28%
    Slightly waxy 21.2%
    Mild 20.43%
    Faint 20.39%
    Diterpene 19.28%
    Incense 19.2%
    Low 19.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    8.4

    pKa est.
    8.26 (weak base)

    Molecular weight
    236.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 130.77 ˚C est.

  • Synonyms

    • 1-Heptadecyne
    • 26186-00-5
    • DTXSID80180814
    • RefChem:75852
    • DTXCID20103305
    • 679-898-7
    • DQDNKQWGBZFFRA-UHFFFAOYSA-N
    • heptadec-1-yne
    • MFCD00015087
    • Pentadecylacetylene
    • SCHEMBL387521
    • SCHEMBL1452815
    • SCHEMBL1470620
    • SCHEMBL3629239
    • BBA18600
    • STK680433
    • AKOS005596119
    • AS-56477
    • SY053938
    • ST4097958
    • CS-0316287
    • H0440
    • T72187
    • 26186-00-5

  • Applications

    1-Heptadecyne (CAS 26186-00-5) is primarily used as a synthetic building block and intermediate in organic synthesis, enabling the preparation of long-chain alkyne-functional compounds for polymers and specialty additives; it serves as a precursor for alkyne-functional monomers and end-caps in polymers/plastics and can function as a reactive diluent or crosslinking component in coatings, inks, and adhesives; in materials science and surface engineering, its terminal alkyne group enables copper-catalyzed click chemistry to attach hydrophobic chains to surfaces for surface modification in electronics, coatings, and related applications; it is also used as a model compound or reference material in analytical method development and process optimization, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 325.08
    methanol 201.71
    isopropanol 409.13
    water 0.01
    ethyl acetate 1735.16
    n-propanol 475.16
    acetone 1453.44
    n-butanol 608.88
    acetonitrile 485.05
    DMF 936.75
    toluene 813.16
    isobutanol 456.72
    1,4-dioxane 1928.18
    methyl acetate 981.62
    THF 4149.51
    2-butanone 1411.53
    n-pentanol 415.75
    sec-butanol 489.96
    n-hexane 972.62
    ethylene glycol 23.72
    NMP 1304.98
    cyclohexane 3122.03
    DMSO 1329.45
    n-butyl acetate 2583.15
    n-octanol 396.46
    chloroform 3162.78
    n-propyl acetate 1600.08
    acetic acid 348.86
    dichloromethane 3159.82
    cyclohexanone 3423.81
    propylene glycol 65.68
    isopropyl acetate 1389.36
    DMAc 900.82
    2-ethoxyethanol 512.32
    isopentanol 667.91
    n-heptane 1846.74
    ethyl formate 660.74
    1,2-dichloroethane 2506.54
    n-hexanol 730.97
    2-methoxyethanol 643.67
    isobutyl acetate 1040.54
    tetrachloromethane 1009.19
    n-pentyl acetate 1457.0
    transcutol 2269.53
    n-heptanol 402.2
    ethylbenzene 512.99
    MIBK 1184.56
    2-propoxyethanol 888.64
    tert-butanol 699.88
    MTBE 1417.58
    2-butoxyethanol 639.44
    propionic acid 454.29
    o-xylene 537.63
    formic acid 35.48
    diethyl ether 2080.56
    m-xylene 528.99
    p-xylene 662.26
    chlorobenzene 993.84
    dimethyl carbonate 318.74
    n-octane 391.57
    formamide 93.42
    cyclopentanone 3102.77
    2-pentanone 1809.84
    anisole 705.33
    cyclopentyl methyl ether 2718.83
    gamma-butyrolactone 2533.18
    1-methoxy-2-propanol 676.78
    pyridine 1607.3
    3-pentanone 1491.14
    furfural 1374.75
    n-dodecane 122.04
    diethylene glycol 276.49
    diisopropyl ether 994.78
    tert-amyl alcohol 665.74
    acetylacetone 1510.53
    n-hexadecane 152.78
    acetophenone 716.35
    methyl propionate 1077.53
    isopentyl acetate 1900.85
    trichloroethylene 3344.15
    n-nonanol 390.71
    cyclohexanol 1207.96
    benzyl alcohol 348.11
    2-ethylhexanol 891.8
    isooctanol 416.58
    dipropyl ether 3762.39
    1,2-dichlorobenzene 1033.02
    ethyl lactate 376.28
    propylene carbonate 1334.34
    n-methylformamide 337.15
    2-pentanol 608.17
    n-pentane 729.84
    1-propoxy-2-propanol 1239.92
    1-methoxy-2-propyl acetate 1357.79
    2-(2-methoxypropoxy) propanol 469.19
    mesitylene 450.95
    ε-caprolactone 2194.84
    p-cymene 570.68
    epichlorohydrin 2279.53
    1,1,1-trichloroethane 2606.89
    2-aminoethanol 92.52
    morpholine-4-carbaldehyde 1119.21
    sulfolane 2713.72
    2,2,4-trimethylpentane 240.0
    2-methyltetrahydrofuran 3027.1
    n-hexyl acetate 1326.65
    isooctane 211.04
    2-(2-butoxyethoxy)ethanol 698.12
    sec-butyl acetate 1160.55
    tert-butyl acetate 1622.43
    decalin 514.73
    glycerin 89.05
    diglyme 1822.75
    acrylic acid 277.03
    isopropyl myristate 559.57
    n-butyric acid 1138.01
    acetyl acetate 970.16
    di(2-ethylhexyl) phthalate 273.01
    ethyl propionate 1385.9
    nitromethane 790.56
    1,2-diethoxyethane 2222.24
    benzonitrile 616.35
    trioctyl phosphate 278.0
    1-bromopropane 2304.59
    gamma-valerolactone 2395.93
    n-decanol 272.35
    triethyl phosphate 728.49
    4-methyl-2-pentanol 406.34
    propionitrile 696.3
    vinylene carbonate 965.74
    1,1,2-trichlorotrifluoroethane 1180.74
    DMS 674.54
    cumene 361.89
    2-octanol 352.35
    2-hexanone 1387.74
    octyl acetate 560.34
    limonene 1174.41
    1,2-dimethoxyethane 1741.21
    ethyl orthosilicate 806.17
    tributyl phosphate 404.23
    diacetone alcohol 950.89
    N,N-dimethylaniline 502.34
    acrylonitrile 534.78
    aniline 547.6
    1,3-propanediol 216.76
    bromobenzene 1307.62
    dibromomethane 2503.1
    1,1,2,2-tetrachloroethane 3228.7
    2-methyl-cyclohexyl acetate 1157.49
    tetrabutyl urea 523.19
    diisobutyl methanol 765.83
    2-phenylethanol 428.03
    styrene 590.01
    dioctyl adipate 694.9
    dimethyl sulfate 519.68
    ethyl butyrate 2422.24
    methyl lactate 283.86
    butyl lactate 694.68
    diethyl carbonate 1140.48
    propanediol butyl ether 388.73
    triethyl orthoformate 1654.18
    p-tert-butyltoluene 537.76
    methyl 4-tert-butylbenzoate 650.56
    morpholine 2166.26
    tert-butylamine 636.22
    n-dodecanol 214.1
    dimethoxymethane 1006.62
    ethylene carbonate 1092.7
    cyrene 449.39
    2-ethoxyethyl acetate 1225.87
    2-ethylhexyl acetate 1765.53
    1,2,4-trichlorobenzene 990.99
    4-methylpyridine 1323.71
    dibutyl ether 2000.92
    2,6-dimethyl-4-heptanol 765.83
    DEF 1594.24
    dimethyl isosorbide 1109.92
    tetrachloroethylene 2181.2
    eugenol 438.93
    triacetin 964.29
    span 80 519.87
    1,4-butanediol 89.8
    1,1-dichloroethane 2115.59
    2-methyl-1-pentanol 434.17
    methyl formate 290.19
    2-methyl-1-butanol 547.07
    n-decane 309.74
    butyronitrile 971.54
    3,7-dimethyl-1-octanol 508.06
    1-chlorooctane 754.66
    1-chlorotetradecane 244.69
    n-nonane 382.11
    undecane 179.0
    tert-butylcyclohexane 387.92
    cyclooctane 917.03
    cyclopentanol 1022.01
    tetrahydropyran 3914.82
    tert-amyl methyl ether 1154.9
    2,5,8-trioxanonane 969.7
    1-hexene 1333.22
    2-isopropoxyethanol 474.65
    2,2,2-trifluoroethanol 140.7
    methyl butyrate 1769.7

    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