1-Decyne

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    764-93-2

    Molecular formula
    C10H18

    SMILES
    CCCCCCCCC#C

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1071.0

  • Odor profile

    Fragrance
    Green 64.5%
    Citrus 53.63%
    Fresh 48.42%
    Waxy 46.93%
    Floral 46.9%
    Fatty 46.77%
    Fruity 45.06%
    Aldehydic 35.78%
    Metallic 34.93%
    Orange 32.76%

     

    Flavor
    Delicate 20.77%
    Skunky 20.15%
    Slightly waxy 19.93%
    Glue 19.43%
    Diterpene 19.37%
    Terpentine 19.33%
    Low 19.27%
    Leathery 19.25%
    Coumarinic 19.21%
    Bloody 19.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.53 (weak base)

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Flash point

    • 48.66 ˚C est.

  • Synonyms

    • 1-DECYNE
    • 764-93-2
    • dec-1-yne
    • Decyne
    • Octylacetylene
    • n-Octylacetylene
    • UNII-ULR28GD98Q
    • ULR28GD98Q
    • EINECS 212-132-8
    • MFCD00009576
    • 27381-15-3
    • CHEBI:87322
    • DTXSID60870766
    • 1-C10H18
    • 1-Decyne, 98%
    • decine
    • Dec1yne
    • deca-1-yne
    • DTXCID00818460
    • AKOS015836221
    • GS-6899
    • SY048328
    • DB-019148
    • D0037
    • NS00042496
    • F11366
    • EN300-1692834
    • Q3486511
    • 212-132-8

  • Applications

    1-Decyne is a terminal alkyne that serves primarily as a chemical intermediate and reactive building block in organic synthesis. In industrial manufacturing, it may be used as a feedstock for the preparation of alkynyl-functional compounds via coupling reactions (such as the Sonogashira coupling) to introduce alkynyl groups into aromatics, polymers, and small molecules. In polymers and coatings, it provides alkynyl functionality that enables post-polymerization modification and surface functionalization, including click-chemistry approaches for coatings and adhesives. In electronics and related technologies, its alkynyl end-group can be leveraged for surface modification and integration of functional moieties on materials and sensors. It is also used in research and development as a precursor for specialty polymers and advanced materials, and in formulated products as a reactive modifier to tailor properties such as hydrophobicity and compatibility, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8898.78
    methanol 6547.09
    isopropanol 7669.19
    water 0.07
    ethyl acetate 8938.77
    n-propanol 7550.96
    acetone 12244.13
    n-butanol 8567.13
    acetonitrile 6145.44
    DMF 4940.29
    toluene 2723.94
    isobutanol 5305.79
    1,4-dioxane 10232.15
    methyl acetate 5351.58
    THF 17092.6
    2-butanone 8413.86
    n-pentanol 4929.56
    sec-butanol 5858.53
    n-hexane 6794.88
    ethylene glycol 645.36
    NMP 2713.66
    cyclohexane 8851.76
    DMSO 7749.47
    n-butyl acetate 11366.09
    n-octanol 1846.24
    chloroform 10702.34
    n-propyl acetate 5817.85
    acetic acid 3506.47
    dichloromethane 11072.66
    cyclohexanone 10667.16
    propylene glycol 1149.69
    isopropyl acetate 4497.26
    DMAc 2290.99
    2-ethoxyethanol 3866.25
    isopentanol 5853.29
    n-heptane 6543.89
    ethyl formate 3800.44
    1,2-dichloroethane 8462.56
    n-hexanol 8554.2
    2-methoxyethanol 6388.27
    isobutyl acetate 2748.42
    tetrachloromethane 2910.02
    n-pentyl acetate 3367.56
    transcutol 8994.69
    n-heptanol 2090.91
    ethylbenzene 1326.07
    MIBK 3582.31
    2-propoxyethanol 6967.72
    tert-butanol 7161.88
    MTBE 7625.35
    2-butoxyethanol 2575.1
    propionic acid 3898.53
    o-xylene 1093.75
    formic acid 478.38
    diethyl ether 15918.96
    m-xylene 1417.17
    p-xylene 1473.39
    chlorobenzene 2652.38
    dimethyl carbonate 854.94
    n-octane 1194.74
    formamide 862.19
    cyclopentanone 9006.91
    2-pentanone 9180.21
    anisole 1761.57
    cyclopentyl methyl ether 8558.96
    gamma-butyrolactone 6724.52
    1-methoxy-2-propanol 4900.95
    pyridine 6659.03
    3-pentanone 5427.69
    furfural 3572.67
    n-dodecane 342.13
    diethylene glycol 2578.97
    diisopropyl ether 3558.57
    tert-amyl alcohol 4766.16
    acetylacetone 4598.83
    n-hexadecane 410.91
    acetophenone 1370.09
    methyl propionate 4537.16
    isopentyl acetate 6283.98
    trichloroethylene 9078.88
    n-nonanol 1458.54
    cyclohexanol 6692.57
    benzyl alcohol 1262.72
    2-ethylhexanol 5104.82
    isooctanol 1565.41
    dipropyl ether 13649.08
    1,2-dichlorobenzene 1889.5
    ethyl lactate 990.04
    propylene carbonate 3199.65
    n-methylformamide 2824.39
    2-pentanol 6117.85
    n-pentane 5218.16
    1-propoxy-2-propanol 7035.2
    1-methoxy-2-propyl acetate 4004.41
    2-(2-methoxypropoxy) propanol 1127.14
    mesitylene 909.49
    ε-caprolactone 6444.1
    p-cymene 1171.86
    epichlorohydrin 7028.72
    1,1,1-trichloroethane 6870.32
    2-aminoethanol 1809.86
    morpholine-4-carbaldehyde 3520.74
    sulfolane 5352.4
    2,2,4-trimethylpentane 757.2
    2-methyltetrahydrofuran 12706.64
    n-hexyl acetate 3441.61
    isooctane 774.19
    2-(2-butoxyethoxy)ethanol 2145.75
    sec-butyl acetate 2785.22
    tert-butyl acetate 3639.3
    decalin 1201.7
    glycerin 1044.59
    diglyme 4951.63
    acrylic acid 2070.09
    isopropyl myristate 1033.39
    n-butyric acid 7875.41
    acetyl acetate 2781.47
    di(2-ethylhexyl) phthalate 516.55
    ethyl propionate 3620.85
    nitromethane 5002.2
    1,2-diethoxyethane 7911.74
    benzonitrile 2253.58
    trioctyl phosphate 548.76
    1-bromopropane 10557.21
    gamma-valerolactone 7546.24
    n-decanol 985.55
    triethyl phosphate 1058.64
    4-methyl-2-pentanol 2368.85
    propionitrile 6418.61
    vinylene carbonate 2561.71
    1,1,2-trichlorotrifluoroethane 3525.81
    DMS 1426.64
    cumene 712.52
    2-octanol 1470.84
    2-hexanone 6213.94
    octyl acetate 1181.46
    limonene 2795.34
    1,2-dimethoxyethane 7965.12
    ethyl orthosilicate 1229.69
    tributyl phosphate 793.12
    diacetone alcohol 2758.73
    N,N-dimethylaniline 918.38
    acrylonitrile 4531.67
    aniline 2231.11
    1,3-propanediol 3055.5
    bromobenzene 3125.78
    dibromomethane 10255.93
    1,1,2,2-tetrachloroethane 7456.54
    2-methyl-cyclohexyl acetate 2058.72
    tetrabutyl urea 975.54
    diisobutyl methanol 2513.0
    2-phenylethanol 1792.95
    styrene 1753.52
    dioctyl adipate 1114.67
    dimethyl sulfate 993.63
    ethyl butyrate 6360.04
    methyl lactate 1027.67
    butyl lactate 1585.85
    diethyl carbonate 2375.09
    propanediol butyl ether 1563.72
    triethyl orthoformate 3199.55
    p-tert-butyltoluene 1096.15
    methyl 4-tert-butylbenzoate 863.25
    morpholine 12866.43
    tert-butylamine 5922.64
    n-dodecanol 740.84
    dimethoxymethane 4696.47
    ethylene carbonate 2842.84
    cyrene 748.13
    2-ethoxyethyl acetate 2927.52
    2-ethylhexyl acetate 5226.98
    1,2,4-trichlorobenzene 1702.87
    4-methylpyridine 5223.7
    dibutyl ether 6229.41
    2,6-dimethyl-4-heptanol 2513.0
    DEF 5803.42
    dimethyl isosorbide 1870.8
    tetrachloroethylene 5828.76
    eugenol 794.75
    triacetin 1537.08
    span 80 1396.78
    1,4-butanediol 1058.82
    1,1-dichloroethane 9207.35
    2-methyl-1-pentanol 3203.88
    methyl formate 1868.73
    2-methyl-1-butanol 4906.12
    n-decane 870.06
    butyronitrile 9210.3
    3,7-dimethyl-1-octanol 1829.77
    1-chlorooctane 1918.52
    1-chlorotetradecane 530.51
    n-nonane 1199.72
    undecane 507.14
    tert-butylcyclohexane 1009.75
    cyclooctane 2345.18
    cyclopentanol 6006.88
    tetrahydropyran 20011.78
    tert-amyl methyl ether 4458.54
    2,5,8-trioxanonane 2147.29
    1-hexene 10935.77
    2-isopropoxyethanol 2528.81
    2,2,2-trifluoroethanol 647.86
    methyl butyrate 5182.99

    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

Botanical

Name CAS Botanical Proportion
Eremocharis triradiata Eremocharis triradiata (Wolff.) Johnston, fam. Apiaceae (Umbelliferae) 0.01%