Carbonic acid, decyn-1-yl methyl ester

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  • Identifiers

    CAS number
    1322-34-5

    Molecular formula
    C12H20O3

    SMILES
    CC#CCCCCCCCOC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 76.88%
    Green 66.37%
    Waxy 54.49%
    Fresh 53.48%
    Rose 46.27%
    Sweet 43.77%
    Fruity 39.95%
    Citrus 39.11%
    Violet 37.32%
    Leafy 36.41%

     

    Flavor
    Fruity 43.98%
    Waxy 37.71%
    Oily 32.07%
    Floral 31.27%
    Mild 26.93%
    Tropical 26.78%
    Soapy 22.96%
    Beer 21.14%
    Slightly rose 20.72%
    Slightly waxy 20.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.25 (neutral)

    Molecular weight
    212.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 117.35 ˚C est.

  • Synonyms

    • 1322-34-5
    • EINECS 215-337-0
    • Carbonic acid, decyn-1-yl methyl ester
    • RefChem:123599
    • Carbonic acid, decynyl methyl ester
    • dec-8-ynyl methyl carbonate
    • dec-8-yn-1-yl methyl carbonate
    • SCHEMBL3507008
    • DTXSID40927580
    • OIRNNICOQNNTGF-UHFFFAOYSA-N
    • 1322-34-5

  • Applications

    Chemical name: Carbonic acid, decyn-1-yl methyl ester; CAS number: 1322-34-5. As an alkyl methyl carbonate, it is used primarily as a solvent and processing aid in organic synthesis and as a reactive diluent for coatings, inks, and adhesives; the alkyne-containing decynyl moiety enables consideration as a monomer or crosslinking precursor in polymer formulations; it can also serve as an intermediate in chemical synthesis and as a building block for functional materials in research contexts; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5731.46
    methanol 9447.61
    isopropanol 3560.32
    water 0.67
    ethyl acetate 4061.55
    n-propanol 3505.02
    acetone 7200.93
    n-butanol 2771.97
    acetonitrile 4473.0
    DMF 6679.52
    toluene 878.5
    isobutanol 2098.07
    1,4-dioxane 3896.54
    methyl acetate 2786.56
    THF 4777.23
    2-butanone 3694.16
    n-pentanol 1968.45
    sec-butanol 2568.84
    n-hexane 192.04
    ethylene glycol 649.35
    NMP 3148.77
    cyclohexane 332.04
    DMSO 10637.98
    n-butyl acetate 1719.4
    n-octanol 399.25
    chloroform 5387.96
    n-propyl acetate 2384.35
    acetic acid 3959.19
    dichloromethane 6762.99
    cyclohexanone 4255.7
    propylene glycol 841.6
    isopropyl acetate 1918.66
    DMAc 3117.55
    2-ethoxyethanol 3065.63
    isopentanol 1969.71
    n-heptane 56.52
    ethyl formate 2028.92
    1,2-dichloroethane 4891.49
    n-hexanol 978.45
    2-methoxyethanol 5103.1
    isobutyl acetate 1055.94
    tetrachloromethane 662.54
    n-pentyl acetate 1033.16
    transcutol 5348.21
    n-heptanol 386.03
    ethylbenzene 422.75
    MIBK 1578.87
    2-propoxyethanol 1832.51
    tert-butanol 3281.02
    MTBE 2402.18
    2-butoxyethanol 985.17
    propionic acid 2305.8
    o-xylene 465.86
    formic acid 1528.8
    diethyl ether 3626.56
    m-xylene 546.67
    p-xylene 511.78
    chlorobenzene 1217.47
    dimethyl carbonate 752.57
    n-octane 30.73
    formamide 3256.88
    cyclopentanone 4334.64
    2-pentanone 3499.64
    anisole 976.38
    cyclopentyl methyl ether 2344.05
    gamma-butyrolactone 4159.92
    1-methoxy-2-propanol 3138.18
    pyridine 3181.15
    3-pentanone 2017.29
    furfural 2881.64
    n-dodecane 22.68
    diethylene glycol 1312.36
    diisopropyl ether 612.8
    tert-amyl alcohol 2350.75
    acetylacetone 2965.47
    n-hexadecane 26.74
    acetophenone 1007.02
    methyl propionate 2497.97
    isopentyl acetate 1224.62
    trichloroethylene 7159.99
    n-nonanol 319.3
    cyclohexanol 1936.26
    benzyl alcohol 951.38
    2-ethylhexanol 460.81
    isooctanol 322.88
    dipropyl ether 695.45
    1,2-dichlorobenzene 1076.15
    ethyl lactate 656.03
    propylene carbonate 1756.73
    n-methylformamide 4095.4
    2-pentanol 1775.38
    n-pentane 159.05
    1-propoxy-2-propanol 1174.26
    1-methoxy-2-propyl acetate 1298.71
    2-(2-methoxypropoxy) propanol 680.47
    mesitylene 328.82
    ε-caprolactone 2766.31
    p-cymene 190.83
    epichlorohydrin 5282.87
    1,1,1-trichloroethane 3045.74
    2-aminoethanol 1685.51
    morpholine-4-carbaldehyde 2833.71
    sulfolane 4434.16
    2,2,4-trimethylpentane 73.34
    2-methyltetrahydrofuran 3480.53
    n-hexyl acetate 1176.51
    isooctane 57.77
    2-(2-butoxyethoxy)ethanol 1202.23
    sec-butyl acetate 1216.3
    tert-butyl acetate 1825.92
    decalin 112.41
    glycerin 995.24
    diglyme 2561.78
    acrylic acid 1659.33
    isopropyl myristate 300.67
    n-butyric acid 3367.51
    acetyl acetate 1633.19
    di(2-ethylhexyl) phthalate 278.09
    ethyl propionate 1675.3
    nitromethane 7929.75
    1,2-diethoxyethane 1690.1
    benzonitrile 1205.23
    trioctyl phosphate 214.17
    1-bromopropane 2603.93
    gamma-valerolactone 4596.01
    n-decanol 207.4
    triethyl phosphate 335.7
    4-methyl-2-pentanol 684.56
    propionitrile 2587.47
    vinylene carbonate 1630.16
    1,1,2-trichlorotrifluoroethane 3027.8
    DMS 813.56
    cumene 253.4
    2-octanol 311.93
    2-hexanone 2022.8
    octyl acetate 411.39
    limonene 311.23
    1,2-dimethoxyethane 4034.09
    ethyl orthosilicate 322.69
    tributyl phosphate 304.19
    diacetone alcohol 1889.86
    N,N-dimethylaniline 589.13
    acrylonitrile 3144.58
    aniline 1202.54
    1,3-propanediol 2309.71
    bromobenzene 1368.66
    dibromomethane 4276.45
    1,1,2,2-tetrachloroethane 5558.92
    2-methyl-cyclohexyl acetate 613.35
    tetrabutyl urea 382.06
    diisobutyl methanol 271.56
    2-phenylethanol 626.6
    styrene 626.15
    dioctyl adipate 485.06
    dimethyl sulfate 1206.15
    ethyl butyrate 1030.47
    methyl lactate 840.3
    butyl lactate 757.33
    diethyl carbonate 637.99
    propanediol butyl ether 982.53
    triethyl orthoformate 575.64
    p-tert-butyltoluene 181.73
    methyl 4-tert-butylbenzoate 647.83
    morpholine 5844.39
    tert-butylamine 1701.79
    n-dodecanol 149.73
    dimethoxymethane 3162.13
    ethylene carbonate 1497.3
    cyrene 721.81
    2-ethoxyethyl acetate 1431.69
    2-ethylhexyl acetate 874.41
    1,2,4-trichlorobenzene 1178.36
    4-methylpyridine 2723.2
    dibutyl ether 636.65
    2,6-dimethyl-4-heptanol 271.56
    DEF 3685.18
    dimethyl isosorbide 1087.09
    tetrachloroethylene 3545.79
    eugenol 718.76
    triacetin 976.24
    span 80 677.02
    1,4-butanediol 941.11
    1,1-dichloroethane 4332.91
    2-methyl-1-pentanol 1370.71
    methyl formate 2185.64
    2-methyl-1-butanol 1789.37
    n-decane 43.0
    butyronitrile 2900.29
    3,7-dimethyl-1-octanol 376.25
    1-chlorooctane 270.71
    1-chlorotetradecane 83.35
    n-nonane 43.58
    undecane 29.5
    tert-butylcyclohexane 97.24
    cyclooctane 66.96
    cyclopentanol 2033.54
    tetrahydropyran 4674.5
    tert-amyl methyl ether 1506.89
    2,5,8-trioxanonane 1340.23
    1-hexene 928.29
    2-isopropoxyethanol 1621.42
    2,2,2-trifluoroethanol 919.19
    methyl butyrate 2644.25

    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