1,1-Dimethoxynon-2-yne

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  • Identifiers

    CAS number
    13257-44-8

    Molecular formula
    C11H20O2

    SMILES
    CCCCCCC#CC(OC)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 87.84%
    Sweet 52.52%
    Fresh 52.32%
    Floral 50.2%
    Violet 48.32%
    Waxy 44.96%
    Citrus 43.64%
    Leafy 42.67%
    Fatty 39.37%
    Melon 37.69%

     

    Flavor
    Green 23.52%
    Bland 22.08%
    Mild 21.35%
    Carrot 19.86%
    Rose acetate 19.77%
    Yeasty 19.75%
    Delicate 19.71%
    Violet-leaf 19.57%
    Glue 19.41%
    Acrid 19.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.31 (neutral)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point

    • 89.64 ˚C est.

  • Synonyms

    • Parmavert
    • 1,1-Dimethoxynon-2-yne
    • 13257-44-8
    • 2-Nonynal dimethylacetal
    • 2-nonynal dimethyl acetal
    • 2-Nonyne, 1,1-dimethoxy-
    • 2-Nonyn-1-al dimethylacetal
    • EINECS 236-249-9
    • 2-Nonyl-1-al dimethyl acetal
    • 2-NONYNAL, DIMETHYL ACETAL
    • BRN 4372599
    • AI3-36004
    • DTXSID3051670
    • 2-Nonyn-1-al dimethyl acetal
    • SCHEMBL756594
    • DTXCID7030224
    • RPJGIPAAHSGBEZ-UHFFFAOYSA-N
    • MFCD00036554
    • AKOS006274299
    • DB-270604
    • NS00013047
    • F11698
    • 236-249-9

  • Applications

    1,1-Dimethoxynon-2-yne (CAS 13257-44-8) is a versatile intermediate in organic synthesis, often used as a masked aldehyde equivalent due to its 1,1-dimethoxy acetal functionality, enabling selective transformations without premature carbonyl activation. The ethynyl group provides a handle for cross-coupling and other alkyne chemistries, supporting the assembly of complex pharmaceutical and fine-chemical scaffolds. It is commonly evaluated as a building block in pharmaceutical and agrochemical development, and as a precursor for specialty polymers or resin components in polymer and materials chemistry. In coatings, inks, and related formulations, it can act as a reactive intermediate contributing to network formation while maintaining functional group compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17916.64
    methanol 21698.36
    isopropanol 13349.47
    water 0.92
    ethyl acetate 18325.79
    n-propanol 13298.18
    acetone 23608.65
    n-butanol 11724.88
    acetonitrile 18149.07
    DMF 12713.89
    toluene 3333.15
    isobutanol 8780.0
    1,4-dioxane 13068.63
    methyl acetate 11293.99
    THF 13350.59
    2-butanone 12895.97
    n-pentanol 6329.22
    sec-butanol 9794.39
    n-hexane 1628.58
    ethylene glycol 1993.23
    NMP 5797.79
    cyclohexane 3981.42
    DMSO 16595.66
    n-butyl acetate 9498.12
    n-octanol 1670.56
    chloroform 23454.11
    n-propyl acetate 8760.69
    acetic acid 13498.99
    dichloromethane 24789.09
    cyclohexanone 16615.12
    propylene glycol 2582.43
    isopropyl acetate 7971.53
    DMAc 4883.67
    2-ethoxyethanol 7669.99
    isopentanol 8130.14
    n-heptane 984.48
    ethyl formate 8476.58
    1,2-dichloroethane 17757.5
    n-hexanol 5510.9
    2-methoxyethanol 13800.67
    isobutyl acetate 3607.68
    tetrachloromethane 5104.46
    n-pentyl acetate 3969.34
    transcutol 13689.16
    n-heptanol 1639.21
    ethylbenzene 1534.01
    MIBK 4614.31
    2-propoxyethanol 6480.34
    tert-butanol 12907.1
    MTBE 10335.41
    2-butoxyethanol 3049.11
    propionic acid 8500.66
    o-xylene 1482.0
    formic acid 3417.01
    diethyl ether 16827.04
    m-xylene 1878.28
    p-xylene 1892.13
    chlorobenzene 4631.67
    dimethyl carbonate 2315.28
    n-octane 320.28
    formamide 6026.27
    cyclopentanone 12684.65
    2-pentanone 12985.97
    anisole 2751.21
    cyclopentyl methyl ether 9047.48
    gamma-butyrolactone 12036.99
    1-methoxy-2-propanol 8580.12
    pyridine 10587.34
    3-pentanone 7687.97
    furfural 7589.23
    n-dodecane 152.77
    diethylene glycol 3988.6
    diisopropyl ether 3224.33
    tert-amyl alcohol 8490.66
    acetylacetone 8885.77
    n-hexadecane 183.4
    acetophenone 2550.54
    methyl propionate 9501.8
    isopentyl acetate 5490.19
    trichloroethylene 26326.04
    n-nonanol 1280.43
    cyclohexanol 9869.9
    benzyl alcohol 2479.96
    2-ethylhexanol 2750.56
    isooctanol 1352.21
    dipropyl ether 5286.42
    1,2-dichlorobenzene 3807.3
    ethyl lactate 1817.7
    propylene carbonate 6069.5
    n-methylformamide 9607.1
    2-pentanol 8509.49
    n-pentane 1931.67
    1-propoxy-2-propanol 5446.54
    1-methoxy-2-propyl acetate 4693.55
    2-(2-methoxypropoxy) propanol 1498.72
    mesitylene 1165.71
    ε-caprolactone 10521.47
    p-cymene 947.37
    epichlorohydrin 13992.21
    1,1,1-trichloroethane 15984.88
    2-aminoethanol 4435.93
    morpholine-4-carbaldehyde 6601.73
    sulfolane 9729.79
    2,2,4-trimethylpentane 535.3
    2-methyltetrahydrofuran 12974.99
    n-hexyl acetate 4141.47
    isooctane 455.32
    2-(2-butoxyethoxy)ethanol 2736.2
    sec-butyl acetate 4325.68
    tert-butyl acetate 6444.94
    decalin 731.14
    glycerin 2730.15
    diglyme 6260.99
    acrylic acid 5689.63
    isopropyl myristate 1080.81
    n-butyric acid 15597.28
    acetyl acetate 6825.94
    di(2-ethylhexyl) phthalate 707.67
    ethyl propionate 5939.76
    nitromethane 21839.94
    1,2-diethoxyethane 7085.24
    benzonitrile 4182.58
    trioctyl phosphate 662.82
    1-bromopropane 11610.44
    gamma-valerolactone 12937.6
    n-decanol 809.72
    triethyl phosphate 1174.22
    4-methyl-2-pentanol 2708.7
    propionitrile 11465.21
    vinylene carbonate 5680.14
    1,1,2-trichlorotrifluoroethane 9750.68
    DMS 2491.97
    cumene 843.28
    2-octanol 1300.72
    2-hexanone 6466.45
    octyl acetate 1392.07
    limonene 1841.23
    1,2-dimethoxyethane 10478.77
    ethyl orthosilicate 1290.74
    tributyl phosphate 967.19
    diacetone alcohol 5336.18
    N,N-dimethylaniline 1407.43
    acrylonitrile 11663.9
    aniline 4051.12
    1,3-propanediol 7201.49
    bromobenzene 5358.97
    dibromomethane 17268.58
    1,1,2,2-tetrachloroethane 19744.22
    2-methyl-cyclohexyl acetate 2020.24
    tetrabutyl urea 1097.36
    diisobutyl methanol 1580.7
    2-phenylethanol 2107.21
    styrene 2277.68
    dioctyl adipate 1411.65
    dimethyl sulfate 2917.16
    ethyl butyrate 5151.31
    methyl lactate 2543.14
    butyl lactate 2445.81
    diethyl carbonate 2625.8
    propanediol butyl ether 2559.75
    triethyl orthoformate 2587.38
    p-tert-butyltoluene 882.94
    methyl 4-tert-butylbenzoate 1493.84
    morpholine 17828.9
    tert-butylamine 7717.54
    n-dodecanol 576.14
    dimethoxymethane 7506.02
    ethylene carbonate 5803.7
    cyrene 1308.94
    2-ethoxyethyl acetate 4540.4
    2-ethylhexyl acetate 4026.29
    1,2,4-trichlorobenzene 3783.19
    4-methylpyridine 8768.46
    dibutyl ether 3524.81
    2,6-dimethyl-4-heptanol 1580.7
    DEF 10957.3
    dimethyl isosorbide 2445.83
    tetrachloroethylene 13654.5
    eugenol 1443.3
    triacetin 2637.54
    span 80 1726.18
    1,4-butanediol 2517.72
    1,1-dichloroethane 18520.61
    2-methyl-1-pentanol 4252.22
    methyl formate 6705.98
    2-methyl-1-butanol 7423.87
    n-decane 332.53
    butyronitrile 13750.36
    3,7-dimethyl-1-octanol 1579.69
    1-chlorooctane 1447.47
    1-chlorotetradecane 411.9
    n-nonane 408.19
    undecane 207.69
    tert-butylcyclohexane 600.05
    cyclooctane 882.28
    cyclopentanol 7851.38
    tetrahydropyran 19202.27
    tert-amyl methyl ether 5934.95
    2,5,8-trioxanonane 2815.8
    1-hexene 4838.41
    2-isopropoxyethanol 4274.59
    2,2,2-trifluoroethanol 3407.79
    methyl butyrate 8905.45

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 1.8 % Category 7A
Rinse-off products applied to the hair with some hand contact
 20 %
Category 2
Products applied to the axillae
 0.53 % Category 7B
Leave-on products applied to the hair with some hand contact
 20 %
Category 3
Products applied to the face/body using fingertips
 11 % Category 8
Products with significant anogenital exposure
 1 %
Category 4
Products related to fine fragrance
 9.9 % Category 9
Products with body and hand exposure, primarily rinse off
 19 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 2.5 % Category 10A
Household care products with mostly hand contact
 69 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 2.5 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 69 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 2.5 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 38 %
Category 5D
Baby Creams, baby Oils and baby talc
 2.5 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 38 %
Category 6
Products with oral and lip exposure
 5.8 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction