3-Nonyne

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  • Identifiers

    CAS number
    20184-89-8

    Molecular formula
    C9H16

    SMILES
    CCCCCC#CCC

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Green 78.84%
    Sweet 35.05%
    Fatty 31.83%
    Fruity 31.57%
    Fresh 31.56%
    Vegetable 31.05%
    Leafy 27.17%
    Floral 27.16%
    Gassy 26.9%
    Metallic 26.5%

     

    Flavor
    Skunky 19.96%
    Delicate 19.8%
    Glue 19.57%
    Bloody 19.48%
    Violet-leaf 19.29%
    Oriental 19.27%
    Diterpene 19.08%
    Low 19.04%
    Nitrile 18.94%
    Terpentine 18.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.82 (neutral)

    Molecular weight
    124.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    154°C

    Flash point

    • 37.7 ˚C est.

  • Synonyms

    • 3-Nonyne
    • 20184-89-8
    • non-3-yne
    • 3-C9H16
    • DTXSID60174014
    • Amylethylacetylene
    • Ethylpentylacetylene
    • MFCD00039977
    • DTXCID1096505
    • SRRDSRCWRHKEKU-UHFFFAOYSA-
    • AKOS015842688
    • DB-045122
    • N0319
    • T72039
    • InChI=1/C9H16/c1-3-5-7-9-8-6-4-2/h3-5,7,9H2,1-2H3
    • 678-272-0

  • Applications

    3-Nonyne (CAS 20184-89-8) is used as an intermediate in organic synthesis and is commonly employed as a feedstock for pharmaceutical and agrochemical products; it can also function as a reactive solvent or processing solvent in the manufacture of coatings, inks, and adhesives; it serves as a building block for specialty polymers and plastics; and it is evaluated for fragrance chemistry applications as a precursor to aroma-related compounds, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17922.91
    methanol 13863.23
    isopropanol 15061.33
    water 0.17
    ethyl acetate 21608.74
    n-propanol 15561.85
    acetone 24305.58
    n-butanol 17966.97
    acetonitrile 16507.63
    DMF 10487.42
    toluene 7723.39
    isobutanol 11043.38
    1,4-dioxane 22267.37
    methyl acetate 11703.06
    THF 29452.18
    2-butanone 16533.71
    n-pentanol 11030.77
    sec-butanol 12543.34
    n-hexane 16417.95
    ethylene glycol 1252.16
    NMP 5840.7
    cyclohexane 18804.46
    DMSO 13257.2
    n-butyl acetate 30270.38
    n-octanol 4651.05
    chloroform 24515.02
    n-propyl acetate 12674.24
    acetic acid 7959.44
    dichloromethane 24882.93
    cyclohexanone 21019.33
    propylene glycol 1972.72
    isopropyl acetate 10552.47
    DMAc 4841.71
    2-ethoxyethanol 7759.27
    isopentanol 13150.88
    n-heptane 15248.28
    ethyl formate 8577.97
    1,2-dichloroethane 18383.01
    n-hexanol 19704.26
    2-methoxyethanol 12921.29
    isobutyl acetate 5857.28
    tetrachloromethane 7186.92
    n-pentyl acetate 8022.79
    transcutol 19539.74
    n-heptanol 4675.58
    ethylbenzene 3486.9
    MIBK 7496.63
    2-propoxyethanol 14373.45
    tert-butanol 15006.24
    MTBE 18673.49
    2-butoxyethanol 5459.92
    propionic acid 7234.09
    o-xylene 2683.3
    formic acid 1044.66
    diethyl ether 37013.05
    m-xylene 3674.79
    p-xylene 4046.46
    chlorobenzene 7310.4
    dimethyl carbonate 1942.21
    n-octane 2950.77
    formamide 1845.45
    cyclopentanone 15636.65
    2-pentanone 18631.05
    anisole 4560.96
    cyclopentyl methyl ether 16868.29
    gamma-butyrolactone 11937.0
    1-methoxy-2-propanol 8919.23
    pyridine 15569.52
    3-pentanone 11096.78
    furfural 7337.41
    n-dodecane 919.73
    diethylene glycol 4950.05
    diisopropyl ether 8368.11
    tert-amyl alcohol 10416.74
    acetylacetone 9602.1
    n-hexadecane 1083.23
    acetophenone 3187.54
    methyl propionate 9716.94
    isopentyl acetate 15824.47
    trichloroethylene 20810.31
    n-nonanol 3601.23
    cyclohexanol 13868.94
    benzyl alcohol 3111.46
    2-ethylhexanol 12796.3
    isooctanol 3292.28
    dipropyl ether 30558.94
    1,2-dichlorobenzene 4940.77
    ethyl lactate 1869.87
    propylene carbonate 6491.04
    n-methylformamide 5400.31
    2-pentanol 12824.62
    n-pentane 12013.16
    1-propoxy-2-propanol 13930.13
    1-methoxy-2-propyl acetate 8763.14
    2-(2-methoxypropoxy) propanol 2412.06
    mesitylene 2197.47
    ε-caprolactone 14204.05
    p-cymene 2895.76
    epichlorohydrin 14568.87
    1,1,1-trichloroethane 17088.86
    2-aminoethanol 3217.77
    morpholine-4-carbaldehyde 7470.36
    sulfolane 9731.41
    2,2,4-trimethylpentane 1848.08
    2-methyltetrahydrofuran 26872.27
    n-hexyl acetate 8490.48
    isooctane 1942.68
    2-(2-butoxyethoxy)ethanol 4711.67
    sec-butyl acetate 6326.25
    tert-butyl acetate 8440.5
    decalin 2918.13
    glycerin 1845.77
    diglyme 10369.4
    acrylic acid 4181.92
    isopropyl myristate 2393.23
    n-butyric acid 16298.17
    acetyl acetate 6720.28
    di(2-ethylhexyl) phthalate 1196.37
    ethyl propionate 8338.28
    nitromethane 10845.55
    1,2-diethoxyethane 19666.06
    benzonitrile 5930.24
    trioctyl phosphate 1200.54
    1-bromopropane 24333.22
    gamma-valerolactone 14547.71
    n-decanol 2356.32
    triethyl phosphate 2183.96
    4-methyl-2-pentanol 4919.87
    propionitrile 14332.9
    vinylene carbonate 5534.52
    1,1,2-trichlorotrifluoroethane 7307.62
    DMS 3174.54
    cumene 1714.3
    2-octanol 3343.06
    2-hexanone 13260.13
    octyl acetate 2739.79
    limonene 6757.17
    1,2-dimethoxyethane 17096.06
    ethyl orthosilicate 2756.95
    tributyl phosphate 1743.17
    diacetone alcohol 5457.8
    N,N-dimethylaniline 2360.66
    acrylonitrile 10718.76
    aniline 6007.96
    1,3-propanediol 6205.78
    bromobenzene 8440.52
    dibromomethane 22396.43
    1,1,2,2-tetrachloroethane 17094.08
    2-methyl-cyclohexyl acetate 4594.69
    tetrabutyl urea 2189.3
    diisobutyl methanol 5430.98
    2-phenylethanol 4549.9
    styrene 5097.9
    dioctyl adipate 2486.08
    dimethyl sulfate 1988.4
    ethyl butyrate 15321.36
    methyl lactate 1914.85
    butyl lactate 3455.68
    diethyl carbonate 5592.15
    propanediol butyl ether 3253.49
    triethyl orthoformate 7453.37
    p-tert-butyltoluene 2669.06
    methyl 4-tert-butylbenzoate 1790.56
    morpholine 27096.72
    tert-butylamine 13629.52
    n-dodecanol 1755.72
    dimethoxymethane 10061.19
    ethylene carbonate 6336.88
    cyrene 1377.79
    2-ethoxyethyl acetate 6885.84
    2-ethylhexyl acetate 13262.05
    1,2,4-trichlorobenzene 4171.42
    4-methylpyridine 14153.53
    dibutyl ether 15965.6
    2,6-dimethyl-4-heptanol 5430.98
    DEF 13174.49
    dimethyl isosorbide 3871.38
    tetrachloroethylene 13307.09
    eugenol 1758.54
    triacetin 3357.02
    span 80 3163.25
    1,4-butanediol 2009.4
    1,1-dichloroethane 21040.57
    2-methyl-1-pentanol 7536.17
    methyl formate 3910.41
    2-methyl-1-butanol 10851.33
    n-decane 2215.27
    butyronitrile 22491.73
    3,7-dimethyl-1-octanol 4369.97
    1-chlorooctane 4940.87
    1-chlorotetradecane 1354.23
    n-nonane 3064.42
    undecane 1321.63
    tert-butylcyclohexane 2523.33
    cyclooctane 5038.53
    cyclopentanol 11079.63
    tetrahydropyran 40833.34
    tert-amyl methyl ether 10533.76
    2,5,8-trioxanonane 4418.55
    1-hexene 27451.89
    2-isopropoxyethanol 5152.35
    2,2,2-trifluoroethanol 1218.91
    methyl butyrate 11842.73

    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