Methyl deca-4,8-dienoate

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  • Identifiers

    CAS number
    1191-03-3

    Molecular formula
    C11H18O2

    SMILES
    CC=CCCC=CCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Green 76.35%
    Fruity 70.28%
    Fatty 66.63%
    Pear 58.61%
    Melon 57.74%
    Waxy 57.73%
    Tropical 45.6%
    Sweet 42.65%
    Oily 40.46%
    Fresh 38.67%

     

    Flavor
    Fatty 22.59%
    Melon 22.44%
    Oily 19.63%
    Waxy 19.42%
    Honeydew 19.14%
    Pumpkin 18.52%
    Biscuit 18.49%
    Floral 18.45%
    Pear skin 18.4%
    Low 18.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.16 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    224°C

    Flash point

    • 106.85 ˚C est.

  • Synonyms

    • METHYL DECA-4,8-DIENOATE
    • 4,8-Decadienoic acid, methyl ester
    • DTXSID40699053
    • RefChem:817712
    • DTXCID50649802
    • 1191-03-3
    • SCHEMBL3084656
    • ZYNYTTXGMNCKDP-UHFFFAOYSA-N
    • NS00127394
    • 1191-03-3

  • Applications

    Methyl deca-4,8-dienoate (CAS 1191-03-3) is primarily used as an organic synthesis intermediate in industrial manufacturing. It can act as a reactive dienophile in Diels–Alder chemistry to furnish functionally diverse intermediates that feed into specialty polymers and resins used in coatings and adhesives. It is also evaluated as a fragrance/perfumery intermediate for aroma-chemical synthesis, and serves as a building block for higher-value specialty chemicals in downstream chemical production, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 850.1
    methanol 801.61
    isopropanol 626.0
    water 0.08
    ethyl acetate 1089.11
    n-propanol 612.3
    acetone 1234.33
    n-butanol 566.85
    acetonitrile 829.96
    DMF 984.29
    toluene 507.0
    isobutanol 422.18
    1,4-dioxane 1433.51
    methyl acetate 748.61
    THF 1753.42
    2-butanone 1044.18
    n-pentanol 479.83
    sec-butanol 625.44
    n-hexane 172.24
    ethylene glycol 72.82
    NMP 915.1
    cyclohexane 211.16
    DMSO 1740.62
    n-butyl acetate 684.93
    n-octanol 149.04
    chloroform 2267.34
    n-propyl acetate 665.58
    acetic acid 590.8
    dichloromethane 2272.53
    cyclohexanone 1243.9
    propylene glycol 173.07
    isopropyl acetate 596.51
    DMAc 930.87
    2-ethoxyethanol 702.77
    isopentanol 533.35
    n-heptane 53.13
    ethyl formate 373.49
    1,2-dichloroethane 1513.89
    n-hexanol 397.74
    2-methoxyethanol 899.92
    isobutyl acetate 375.66
    tetrachloromethane 295.08
    n-pentyl acetate 329.07
    transcutol 2728.59
    n-heptanol 136.75
    ethylbenzene 268.48
    MIBK 466.41
    2-propoxyethanol 645.53
    tert-butanol 960.18
    MTBE 1039.66
    2-butoxyethanol 317.62
    propionic acid 451.1
    o-xylene 268.87
    formic acid 126.37
    diethyl ether 1345.93
    m-xylene 295.87
    p-xylene 302.27
    chlorobenzene 564.4
    dimethyl carbonate 196.88
    n-octane 17.85
    formamide 239.07
    cyclopentanone 1242.58
    2-pentanone 907.73
    anisole 522.92
    cyclopentyl methyl ether 914.47
    gamma-butyrolactone 1169.13
    1-methoxy-2-propanol 711.97
    pyridine 1203.79
    3-pentanone 647.42
    furfural 901.9
    n-dodecane 13.31
    diethylene glycol 362.31
    diisopropyl ether 275.29
    tert-amyl alcohol 817.06
    acetylacetone 813.27
    n-hexadecane 15.88
    acetophenone 440.04
    methyl propionate 630.78
    isopentyl acetate 561.55
    trichloroethylene 2355.78
    n-nonanol 138.15
    cyclohexanol 579.97
    benzyl alcohol 366.94
    2-ethylhexanol 261.21
    isooctanol 128.94
    dipropyl ether 409.49
    1,2-dichlorobenzene 505.96
    ethyl lactate 204.0
    propylene carbonate 554.23
    n-methylformamide 385.9
    2-pentanol 468.93
    n-pentane 96.13
    1-propoxy-2-propanol 487.54
    1-methoxy-2-propyl acetate 551.44
    2-(2-methoxypropoxy) propanol 409.64
    mesitylene 178.9
    ε-caprolactone 914.88
    p-cymene 124.13
    epichlorohydrin 1556.83
    1,1,1-trichloroethane 1246.34
    2-aminoethanol 239.67
    morpholine-4-carbaldehyde 871.33
    sulfolane 1376.96
    2,2,4-trimethylpentane 57.84
    2-methyltetrahydrofuran 1552.29
    n-hexyl acetate 438.18
    isooctane 40.28
    2-(2-butoxyethoxy)ethanol 558.7
    sec-butyl acetate 460.28
    tert-butyl acetate 651.22
    decalin 99.86
    glycerin 204.1
    diglyme 1045.82
    acrylic acid 306.93
    isopropyl myristate 159.94
    n-butyric acid 691.66
    acetyl acetate 495.54
    di(2-ethylhexyl) phthalate 146.11
    ethyl propionate 552.64
    nitromethane 1002.61
    1,2-diethoxyethane 905.8
    benzonitrile 481.39
    trioctyl phosphate 94.76
    1-bromopropane 1064.64
    gamma-valerolactone 1207.96
    n-decanol 97.21
    triethyl phosphate 197.34
    4-methyl-2-pentanol 236.25
    propionitrile 609.4
    vinylene carbonate 475.67
    1,1,2-trichlorotrifluoroethane 883.0
    DMS 374.46
    cumene 159.34
    2-octanol 106.51
    2-hexanone 668.12
    octyl acetate 193.07
    limonene 215.96
    1,2-dimethoxyethane 1138.31
    ethyl orthosilicate 199.1
    tributyl phosphate 149.55
    diacetone alcohol 591.75
    N,N-dimethylaniline 330.11
    acrylonitrile 632.79
    aniline 533.55
    1,3-propanediol 371.38
    bromobenzene 668.26
    dibromomethane 1612.34
    1,1,2,2-tetrachloroethane 2073.65
    2-methyl-cyclohexyl acetate 338.58
    tetrabutyl urea 189.57
    diisobutyl methanol 149.86
    2-phenylethanol 313.02
    styrene 377.19
    dioctyl adipate 263.0
    dimethyl sulfate 342.92
    ethyl butyrate 479.89
    methyl lactate 215.1
    butyl lactate 245.02
    diethyl carbonate 301.84
    propanediol butyl ether 311.73
    triethyl orthoformate 305.47
    p-tert-butyltoluene 121.36
    methyl 4-tert-butylbenzoate 308.99
    morpholine 1830.27
    tert-butylamine 645.81
    n-dodecanol 71.96
    dimethoxymethane 669.51
    ethylene carbonate 409.59
    cyrene 346.11
    2-ethoxyethyl acetate 497.57
    2-ethylhexyl acetate 447.55
    1,2,4-trichlorobenzene 592.34
    4-methylpyridine 1054.67
    dibutyl ether 356.13
    2,6-dimethyl-4-heptanol 149.86
    DEF 908.34
    dimethyl isosorbide 648.6
    tetrachloroethylene 1207.08
    eugenol 307.98
    triacetin 434.65
    span 80 344.28
    1,4-butanediol 150.81
    1,1-dichloroethane 1439.06
    2-methyl-1-pentanol 470.1
    methyl formate 251.47
    2-methyl-1-butanol 517.55
    n-decane 24.61
    butyronitrile 681.5
    3,7-dimethyl-1-octanol 188.68
    1-chlorooctane 143.82
    1-chlorotetradecane 49.58
    n-nonane 24.94
    undecane 17.31
    tert-butylcyclohexane 82.41
    cyclooctane 53.73
    cyclopentanol 509.28
    tetrahydropyran 1673.87
    tert-amyl methyl ether 712.55
    2,5,8-trioxanonane 691.71
    1-hexene 562.38
    2-isopropoxyethanol 515.0
    2,2,2-trifluoroethanol 139.07
    methyl butyrate 712.9

    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