Ethyl 7-methyloct-6-en-2-ynoate

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  • Identifiers

    Molecular formula
    C11H16O2

    SMILES
    CCOC(=O)C#CCCC=C(C)C

  • Odor profile

    Green 77.73%
    Floral 57.5%
    Sweet 53.27%
    Violet 49.96%
    Leafy 46.61%
    Waxy 38.72%
    Citrus 37.84%
    Fresh 37.75%
    Herbal 31.62%
    Melon 31.49%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    228°C

    Flash point est.
    107.35 ˚C

  • Synonyms

    • SCHEMBL13129967

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2714.06
    methanol 2896.52
    isopropanol 1837.66
    water 0.54
    ethyl acetate 1581.82
    n-propanol 1710.57
    acetone 2557.98
    n-butanol 1505.32
    acetonitrile 1564.04
    DMF 3032.41
    toluene 426.61
    isobutanol 1053.14
    1,4-dioxane 1957.22
    methyl acetate 1043.39
    THF 2399.42
    2-butanone 1345.09
    n-pentanol 944.62
    sec-butanol 1288.85
    n-hexane 193.6
    ethylene glycol 451.46
    NMP 1396.88
    cyclohexane 217.26
    DMSO 2600.12
    n-butyl acetate 855.35
    n-octanol 365.89
    chloroform 2484.31
    n-propyl acetate 689.22
    acetic acid 1831.94
    dichloromethane 2106.34
    cyclohexanone 1657.41
    propylene glycol 762.56
    isopropyl acetate 787.39
    DMAc 1420.86
    2-ethoxyethanol 1110.07
    isopentanol 1013.58
    n-heptane 64.82
    ethyl formate 679.03
    1,2-dichloroethane 1552.78
    n-hexanol 916.0
    2-methoxyethanol 2198.87
    isobutyl acetate 397.55
    tetrachloromethane 261.4
    n-pentyl acetate 434.5
    transcutol 3389.56
    n-heptanol 298.98
    ethylbenzene 236.65
    MIBK 642.96
    2-propoxyethanol 1196.74
    tert-butanol 1909.24
    MTBE 1150.52
    2-butoxyethanol 538.55
    propionic acid 1019.57
    o-xylene 228.69
    formic acid 561.92
    diethyl ether 1446.89
    m-xylene 324.06
    p-xylene 276.32
    chlorobenzene 604.07
    dimethyl carbonate 350.49
    n-octane 31.53
    formamide 854.9
    cyclopentanone 1639.49
    2-pentanone 1361.89
    anisole 548.18
    cyclopentyl methyl ether 1120.15
    gamma-butyrolactone 1618.97
    1-methoxy-2-propanol 1603.46
    pyridine 1214.83
    3-pentanone 746.2
    furfural 1210.74
    n-dodecane 26.67
    diethylene glycol 980.97
    diisopropyl ether 321.72
    tert-amyl alcohol 1239.8
    acetylacetone 1287.52
    n-hexadecane 30.83
    acetophenone 471.64
    methyl propionate 944.36
    isopentyl acetate 650.25
    trichloroethylene 2720.33
    n-nonanol 296.21
    cyclohexanol 1098.21
    benzyl alcohol 500.02
    2-ethylhexanol 390.43
    isooctanol 233.18
    dipropyl ether 425.26
    1,2-dichlorobenzene 504.88
    ethyl lactate 325.67
    propylene carbonate 847.56
    n-methylformamide 1226.64
    2-pentanol 1010.11
    n-pentane 144.36
    1-propoxy-2-propanol 841.42
    1-methoxy-2-propyl acetate 763.66
    2-(2-methoxypropoxy) propanol 586.13
    mesitylene 200.58
    ε-caprolactone 1132.4
    p-cymene 129.23
    epichlorohydrin 1911.42
    1,1,1-trichloroethane 1264.44
    2-aminoethanol 920.31
    morpholine-4-carbaldehyde 1454.63
    sulfolane 1715.42
    2,2,4-trimethylpentane 56.45
    2-methyltetrahydrofuran 1701.19
    n-hexyl acetate 715.39
    isooctane 55.25
    2-(2-butoxyethoxy)ethanol 885.45
    sec-butyl acetate 441.14
    tert-butyl acetate 855.08
    decalin 82.72
    glycerin 792.47
    diglyme 1448.7
    acrylic acid 789.88
    isopropyl myristate 231.98
    n-butyric acid 1522.3
    acetyl acetate 744.97
    di(2-ethylhexyl) phthalate 214.7
    ethyl propionate 569.15
    nitromethane 2473.37
    1,2-diethoxyethane 924.99
    benzonitrile 588.82
    trioctyl phosphate 165.67
    1-bromopropane 947.79
    gamma-valerolactone 1888.49
    n-decanol 208.56
    triethyl phosphate 195.82
    4-methyl-2-pentanol 394.09
    propionitrile 977.22
    vinylene carbonate 753.48
    1,1,2-trichlorotrifluoroethane 1483.08
    DMS 517.39
    cumene 152.34
    2-octanol 237.97
    2-hexanone 741.33
    octyl acetate 310.47
    limonene 220.02
    1,2-dimethoxyethane 1613.0
    ethyl orthosilicate 200.74
    tributyl phosphate 224.93
    diacetone alcohol 984.7
    N,N-dimethylaniline 332.69
    acrylonitrile 1088.74
    aniline 633.88
    1,3-propanediol 1221.5
    bromobenzene 647.41
    dibromomethane 1484.37
    1,1,2,2-tetrachloroethane 2200.87
    2-methyl-cyclohexyl acetate 345.05
    tetrabutyl urea 272.21
    diisobutyl methanol 212.83
    2-phenylethanol 459.0
    styrene 321.85
    dioctyl adipate 343.58
    dimethyl sulfate 538.66
    ethyl butyrate 466.78
    methyl lactate 488.34
    butyl lactate 398.64
    diethyl carbonate 311.83
    propanediol butyl ether 694.66
    triethyl orthoformate 318.21
    p-tert-butyltoluene 133.91
    methyl 4-tert-butylbenzoate 396.95
    morpholine 2546.48
    tert-butylamine 1013.88
    n-dodecanol 154.3
    dimethoxymethane 1287.4
    ethylene carbonate 649.54
    cyrene 442.79
    2-ethoxyethyl acetate 652.85
    2-ethylhexyl acetate 473.81
    1,2,4-trichlorobenzene 571.36
    4-methylpyridine 1214.0
    dibutyl ether 453.09
    2,6-dimethyl-4-heptanol 212.83
    DEF 1202.43
    dimethyl isosorbide 796.72
    tetrachloroethylene 1250.07
    eugenol 452.8
    triacetin 616.93
    span 80 534.55
    1,4-butanediol 439.98
    1,1-dichloroethane 1622.5
    2-methyl-1-pentanol 685.87
    methyl formate 785.23
    2-methyl-1-butanol 937.28
    n-decane 45.7
    butyronitrile 1174.57
    3,7-dimethyl-1-octanol 322.01
    1-chlorooctane 229.82
    1-chlorotetradecane 83.53
    n-nonane 46.64
    undecane 33.54
    tert-butylcyclohexane 83.18
    cyclooctane 58.72
    cyclopentanol 966.93
    tetrahydropyran 2131.56
    tert-amyl methyl ether 719.67
    2,5,8-trioxanonane 951.78
    1-hexene 613.42
    2-isopropoxyethanol 695.71
    2,2,2-trifluoroethanol 417.83
    methyl butyrate 768.49

    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