1-Tridecyne

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  • Identifiers

    CAS number
    26186-02-7

    Molecular formula
    C13H24

    SMILES
    CCCCCCCCCCCC#C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Citrus 52.31%
    Waxy 51.96%
    Green 48.58%
    Fresh 47.94%
    Fatty 42.98%
    Fruity 38.96%
    Floral 34.49%
    Metallic 33.74%
    Orange 32.58%
    Aldehydic 31.38%

     

    Flavor
    Waxy 22.31%
    Alkane 22.14%
    Delicate 21.27%
    Slightly waxy 20.81%
    Bland 20.12%
    Skunky 19.62%
    Diterpene 19.5%
    Low 19.4%
    Incense 19.23%
    Coumarinic 19.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    8.19 (weak base)

    Molecular weight
    180.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point

    • 88.72 ˚C est.

  • Synonyms

    • 1-Tridecyne
    • 26186-02-7
    • 1-C13H24
    • EINECS 247-511-7
    • DTXSID0067185
    • RefChem:77308
    • DTXCID3037460
    • GZEDKDBFUBPZNG-UHFFFAOYSA-N
    • tridec-1-yne
    • MFCD00015074
    • tridecyne
    • SCHEMBL128669
    • SCHEMBL131151
    • SCHEMBL1470503
    • SCHEMBL2449857
    • 2-NONYL ETHYL ACETYLENE
    • SCHEMBL10985797
    • SBB009041
    • AKOS006230182
    • AT34840
    • AS-56337
    • DB-365210
    • NS00028041
    • 1-Tridecyne

  • Applications

    1-Tridecyne (CAS 26186-02-7) is a long-chain terminal alkyne primarily used as an organic synthesis intermediate to introduce the alkynyl functionality into building blocks and derivatives for polymers and materials. It serves as a precursor for functionalized monomers and grafting agents in polymer chemistry, enabling crosslinking or surface attachment in coatings and inks, and participates in click-chemistry based surface modification in electronics and advanced materials. It may also act as a reactive intermediate in the development of specialty adhesives and formulation components, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2741.12
    methanol 1723.04
    isopropanol 2776.32
    water 0.02
    ethyl acetate 5548.57
    n-propanol 2870.77
    acetone 6798.34
    n-butanol 3317.53
    acetonitrile 2742.64
    DMF 2803.56
    toluene 2060.77
    isobutanol 2258.42
    1,4-dioxane 6289.75
    methyl acetate 3242.29
    THF 12020.5
    2-butanone 5284.02
    n-pentanol 2090.08
    sec-butanol 2598.58
    n-hexane 4409.0
    ethylene glycol 156.53
    NMP 2096.97
    cyclohexane 7875.81
    DMSO 4446.52
    n-butyl acetate 7461.38
    n-octanol 1146.32
    chloroform 7504.03
    n-propyl acetate 4175.14
    acetic acid 1371.45
    dichloromethane 7718.29
    cyclohexanone 8358.1
    propylene glycol 373.03
    isopropyl acetate 3323.07
    DMAc 1683.62
    2-ethoxyethanol 1976.28
    isopentanol 2804.6
    n-heptane 5035.68
    ethyl formate 2153.94
    1,2-dichloroethane 6332.62
    n-hexanol 3833.87
    2-methoxyethanol 2847.11
    isobutyl acetate 2241.08
    tetrachloromethane 2103.82
    n-pentyl acetate 2764.07
    transcutol 5787.73
    n-heptanol 1210.03
    ethylbenzene 1109.89
    MIBK 2824.09
    2-propoxyethanol 3353.61
    tert-butanol 3328.94
    MTBE 5231.55
    2-butoxyethanol 1590.96
    propionic acid 1639.6
    o-xylene 985.22
    formic acid 144.26
    diethyl ether 9399.81
    m-xylene 1136.51
    p-xylene 1292.9
    chlorobenzene 2094.91
    dimethyl carbonate 620.6
    n-octane 962.1
    formamide 329.46
    cyclopentanone 7061.56
    2-pentanone 6156.64
    anisole 1375.71
    cyclopentyl methyl ether 6702.17
    gamma-butyrolactone 5093.27
    1-methoxy-2-propanol 2435.23
    pyridine 4508.81
    3-pentanone 4017.66
    furfural 2701.34
    n-dodecane 275.16
    diethylene glycol 1112.86
    diisopropyl ether 2773.96
    tert-amyl alcohol 2589.5
    acetylacetone 3488.52
    n-hexadecane 339.74
    acetophenone 1202.05
    methyl propionate 2952.53
    isopentyl acetate 4552.94
    trichloroethylene 7038.93
    n-nonanol 982.41
    cyclohexanol 3870.65
    benzyl alcohol 830.64
    2-ethylhexanol 2939.13
    isooctanol 1055.9
    dipropyl ether 10677.65
    1,2-dichlorobenzene 1734.64
    ethyl lactate 754.88
    propylene carbonate 2504.05
    n-methylformamide 1212.31
    2-pentanol 2907.12
    n-pentane 3174.12
    1-propoxy-2-propanol 3936.72
    1-methoxy-2-propyl acetate 2914.2
    2-(2-methoxypropoxy) propanol 875.86
    mesitylene 824.89
    ε-caprolactone 4950.54
    p-cymene 981.69
    epichlorohydrin 5287.3
    1,1,1-trichloroethane 5395.69
    2-aminoethanol 549.36
    morpholine-4-carbaldehyde 2395.52
    sulfolane 4526.07
    2,2,4-trimethylpentane 580.03
    2-methyltetrahydrofuran 8829.23
    n-hexyl acetate 2789.1
    isooctane 573.56
    2-(2-butoxyethoxy)ethanol 1508.08
    sec-butyl acetate 2426.94
    tert-butyl acetate 3184.8
    decalin 1080.41
    glycerin 393.91
    diglyme 3639.18
    acrylic acid 896.81
    isopropyl myristate 941.23
    n-butyric acid 3873.83
    acetyl acetate 2027.27
    di(2-ethylhexyl) phthalate 452.93
    ethyl propionate 2947.33
    nitromethane 2626.63
    1,2-diethoxyethane 5800.56
    benzonitrile 1513.44
    trioctyl phosphate 476.57
    1-bromopropane 7265.22
    gamma-valerolactone 5476.13
    n-decanol 670.21
    triethyl phosphate 1062.56
    4-methyl-2-pentanol 1373.54
    propionitrile 3116.74
    vinylene carbonate 1870.68
    1,1,2-trichlorotrifluoroethane 2435.41
    DMS 1165.71
    cumene 641.61
    2-octanol 922.88
    2-hexanone 4284.58
    octyl acetate 990.54
    limonene 2260.12
    1,2-dimethoxyethane 5098.43
    ethyl orthosilicate 1231.99
    tributyl phosphate 695.18
    diacetone alcohol 2065.7
    N,N-dimethylaniline 820.65
    acrylonitrile 2188.04
    aniline 1410.57
    1,3-propanediol 1097.72
    bromobenzene 2727.38
    dibromomethane 6893.56
    1,1,2,2-tetrachloroethane 6192.51
    2-methyl-cyclohexyl acetate 1847.78
    tetrabutyl urea 856.24
    diisobutyl methanol 1829.76
    2-phenylethanol 1116.36
    styrene 1414.04
    dioctyl adipate 1075.01
    dimethyl sulfate 834.35
    ethyl butyrate 4982.05
    methyl lactate 657.33
    butyl lactate 1312.03
    diethyl carbonate 2026.48
    propanediol butyl ether 958.59
    triethyl orthoformate 2824.74
    p-tert-butyltoluene 928.6
    methyl 4-tert-butylbenzoate 850.19
    morpholine 7498.94
    tert-butylamine 2890.69
    n-dodecanol 508.4
    dimethoxymethane 2919.22
    ethylene carbonate 2119.53
    cyrene 667.88
    2-ethoxyethyl acetate 2348.71
    2-ethylhexyl acetate 3998.39
    1,2,4-trichlorobenzene 1581.2
    4-methylpyridine 3700.38
    dibutyl ether 4972.28
    2,6-dimethyl-4-heptanol 1829.76
    DEF 4007.97
    dimethyl isosorbide 1677.32
    tetrachloroethylene 4409.7
    eugenol 680.17
    triacetin 1416.16
    span 80 1021.82
    1,4-butanediol 405.52
    1,1-dichloroethane 6038.26
    2-methyl-1-pentanol 1650.75
    methyl formate 877.46
    2-methyl-1-butanol 2310.25
    n-decane 718.22
    butyronitrile 4318.28
    3,7-dimethyl-1-octanol 1247.86
    1-chlorooctane 1612.62
    1-chlorotetradecane 463.49
    n-nonane 957.81
    undecane 409.51
    tert-butylcyclohexane 823.82
    cyclooctane 2155.02
    cyclopentanol 3339.07
    tetrahydropyran 13660.83
    tert-amyl methyl ether 3225.19
    2,5,8-trioxanonane 1732.55
    1-hexene 6612.86
    2-isopropoxyethanol 1524.81
    2,2,2-trifluoroethanol 339.02
    methyl butyrate 4044.1

    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