2,8-Decadiene-4,6-diynoic acid, methyl ester, (Z,Z)-

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  • Identifiers

    CAS number
    928-36-9

    Molecular formula
    C11H10O2

    SMILES
    C/C=C\C#CC#C/C=C\C(=O)OC

  • Odor profile

    Sweet 59.95%
    Spicy 48.58%
    Green 43.14%
    Floral 35.33%
    Cinnamon 33.04%
    Warm 26.68%
    Nutty 25.01%
    Pungent 24.77%
    Violet 24.1%
    Metallic 23.71%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    5.02 (weak acid)

    Molecular weight
    174.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    339°C

    Flash point est.
    127.29 ˚C

  • Synonyms

    • methyl (2Z,8Z)-deca-2,8-dien-4,6-diynoate
    • 928-36-9
    • 2,8-Decadiene-4,6-diynoic acid, methyl ester, (Z,Z)-
    • (2Z,8Z)-MATRICARIA ACID METHYL ESTER
    • (Z,Z)-Matricaria ester
    • CHEMBL2229362
    • SCHEMBL13751306
    • GXPDZHWFJLUFGY-RTAKVZRXSA-N
    • Methyl(2Z,8Z)-decadien-4,6-diynoate
    • Methyl (2Z,8Z)deca-2,8-dien-4,6-diynoate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 219.34
    methanol 270.46
    isopropanol 124.29
    water 0.15
    ethyl acetate 523.64
    n-propanol 142.01
    acetone 442.9
    n-butanol 134.96
    acetonitrile 435.44
    DMF 595.01
    toluene 204.58
    isobutanol 98.22
    1,4-dioxane 539.67
    methyl acetate 450.86
    THF 540.61
    2-butanone 387.55
    n-pentanol 140.96
    sec-butanol 140.98
    n-hexane 26.64
    ethylene glycol 60.2
    NMP 438.23
    cyclohexane 27.02
    DMSO 737.03
    n-butyl acetate 282.56
    n-octanol 49.21
    chloroform 959.62
    n-propyl acetate 303.34
    acetic acid 336.12
    dichloromethane 1059.8
    cyclohexanone 363.45
    propylene glycol 72.45
    isopropyl acetate 240.2
    DMAc 647.11
    2-ethoxyethanol 362.23
    isopentanol 130.27
    n-heptane 12.53
    ethyl formate 211.03
    1,2-dichloroethane 634.63
    n-hexanol 113.6
    2-methoxyethanol 482.51
    isobutyl acetate 162.61
    tetrachloromethane 81.0
    n-pentyl acetate 117.8
    transcutol 1160.31
    n-heptanol 46.47
    ethylbenzene 122.97
    MIBK 176.98
    2-propoxyethanol 269.2
    tert-butanol 217.59
    MTBE 274.79
    2-butoxyethanol 138.47
    propionic acid 184.7
    o-xylene 103.91
    formic acid 139.62
    diethyl ether 333.42
    m-xylene 107.84
    p-xylene 132.28
    chlorobenzene 238.55
    dimethyl carbonate 176.65
    n-octane 6.0
    formamide 316.08
    cyclopentanone 435.61
    2-pentanone 297.12
    anisole 330.76
    cyclopentyl methyl ether 250.29
    gamma-butyrolactone 498.24
    1-methoxy-2-propanol 303.43
    pyridine 540.22
    3-pentanone 257.95
    furfural 592.75
    n-dodecane 6.01
    diethylene glycol 230.35
    diisopropyl ether 85.47
    tert-amyl alcohol 219.13
    acetylacetone 450.21
    n-hexadecane 7.02
    acetophenone 296.68
    methyl propionate 357.59
    isopentyl acetate 224.19
    trichloroethylene 1304.55
    n-nonanol 48.09
    cyclohexanol 129.35
    benzyl alcohol 200.04
    2-ethylhexanol 82.23
    isooctanol 44.2
    dipropyl ether 123.2
    1,2-dichlorobenzene 224.12
    ethyl lactate 123.33
    propylene carbonate 263.48
    n-methylformamide 282.38
    2-pentanol 107.16
    n-pentane 16.24
    1-propoxy-2-propanol 173.79
    1-methoxy-2-propyl acetate 271.44
    2-(2-methoxypropoxy) propanol 220.51
    mesitylene 62.94
    ε-caprolactone 336.23
    p-cymene 52.17
    epichlorohydrin 774.26
    1,1,1-trichloroethane 451.53
    2-aminoethanol 113.39
    morpholine-4-carbaldehyde 552.71
    sulfolane 577.68
    2,2,4-trimethylpentane 15.17
    2-methyltetrahydrofuran 404.1
    n-hexyl acetate 166.22
    isooctane 10.27
    2-(2-butoxyethoxy)ethanol 264.43
    sec-butyl acetate 198.29
    tert-butyl acetate 275.86
    decalin 26.28
    glycerin 132.94
    diglyme 607.54
    acrylic acid 193.14
    isopropyl myristate 69.54
    n-butyric acid 231.85
    acetyl acetate 330.95
    di(2-ethylhexyl) phthalate 69.82
    ethyl propionate 277.97
    nitromethane 855.3
    1,2-diethoxyethane 346.38
    benzonitrile 254.3
    trioctyl phosphate 42.58
    1-bromopropane 277.54
    gamma-valerolactone 582.93
    n-decanol 37.2
    triethyl phosphate 109.51
    4-methyl-2-pentanol 65.34
    propionitrile 262.88
    vinylene carbonate 276.11
    1,1,2-trichlorotrifluoroethane 566.35
    DMS 242.42
    cumene 72.35
    2-octanol 37.0
    2-hexanone 252.84
    octyl acetate 80.82
    limonene 74.93
    1,2-dimethoxyethane 623.5
    ethyl orthosilicate 103.23
    tributyl phosphate 71.78
    diacetone alcohol 266.06
    N,N-dimethylaniline 190.54
    acrylonitrile 365.92
    aniline 218.24
    1,3-propanediol 155.16
    bromobenzene 273.03
    dibromomethane 579.31
    1,1,2,2-tetrachloroethane 905.01
    2-methyl-cyclohexyl acetate 155.18
    tetrabutyl urea 94.26
    diisobutyl methanol 53.68
    2-phenylethanol 153.31
    styrene 178.13
    dioctyl adipate 121.64
    dimethyl sulfate 295.42
    ethyl butyrate 225.13
    methyl lactate 150.93
    butyl lactate 97.65
    diethyl carbonate 177.72
    propanediol butyl ether 123.09
    triethyl orthoformate 148.61
    p-tert-butyltoluene 50.2
    methyl 4-tert-butylbenzoate 165.52
    morpholine 606.05
    tert-butylamine 122.2
    n-dodecanol 30.19
    dimethoxymethane 410.02
    ethylene carbonate 206.46
    cyrene 195.85
    2-ethoxyethyl acetate 237.36
    2-ethylhexyl acetate 186.1
    1,2,4-trichlorobenzene 281.81
    4-methylpyridine 461.56
    dibutyl ether 114.11
    2,6-dimethyl-4-heptanol 53.68
    DEF 406.61
    dimethyl isosorbide 323.55
    tetrachloroethylene 496.54
    eugenol 185.05
    triacetin 225.31
    span 80 140.81
    1,4-butanediol 73.53
    1,1-dichloroethane 470.24
    2-methyl-1-pentanol 144.19
    methyl formate 217.89
    2-methyl-1-butanol 124.96
    n-decane 8.92
    butyronitrile 233.46
    3,7-dimethyl-1-octanol 66.4
    1-chlorooctane 48.26
    1-chlorotetradecane 21.78
    n-nonane 8.23
    undecane 7.17
    tert-butylcyclohexane 25.69
    cyclooctane 9.67
    cyclopentanol 112.06
    tetrahydropyran 374.89
    tert-amyl methyl ether 224.01
    2,5,8-trioxanonane 410.13
    1-hexene 105.65
    2-isopropoxyethanol 231.18
    2,2,2-trifluoroethanol 115.98
    methyl butyrate 327.2

    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

Botanical

Name CAS Botanical Proportion
Conyza sumatrensis Conyza sumatrensis (Retz) Walk, fam. Asteraceae (Compositaceae) 2.14%