Methyl (2E,6Z)-dodeca-2,6-dienoate

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  • Identifiers

    CAS number
    28369-22-4

    Molecular formula
    C13H22O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fatty 86.93%
    Green 76.29%
    Fruity 72.93%
    Waxy 66.1%
    Melon 59.17%
    Pear 58.92%
    Oily 49.04%
    Citrus 45.35%
    Cucumber 39.73%
    Fresh 35.59%

     

    Flavor
    Fruity 33.08%
    Fatty 31.99%
    Waxy 31.74%
    Oily 26.61%
    Pear 23.22%
    Melon 22.66%
    Green 20.82%
    Creamy 20.8%
    Pear skin 20.03%
    Pumpkin 19.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.85 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    268°C

    Flash point

    • 124.35 ˚C est.

  • Synonyms

    • Methyl (2E,6Z)-dodeca-2,6-dienoate
    • 28369-22-4
    • Methyl (2E,6Z)-dodecadienoate
    • methyl dodeca-2,6-dienoate
    • 2,6-Dodecadienoic acid, methyl ester, (E,Z)-
    • EINECS 248-993-1
    • CYB6U9SVN4
    • CHEBI:174064
    • IYSZVOVZPVKXIJ-OFALOCIGSA-N
    • DTXSID801258741
    • LMFA07010930
    • Methyl 2-trans-6-cis-dodecadienoate
    • NS00047750
    • 28369-22-4

  • Applications

    Methyl (2E,6Z)-dodeca-2,6-dienoate (CAS 28369-22-4) is primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, where its long, conjugated diene structure can contribute to aroma and may act as a fixative; it is commonly evaluated as an intermediate for synthesizing other fragrance and flavor esters in industrial manufacturing; it may serve as a precursor for specialty polyester or polymer-related ester formulations; in coatings, inks, and adhesives, it can function as a fragrance-compatible ester or building block for resin systems; and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2217.28
    methanol 2038.67
    isopropanol 1645.58
    water 0.02
    ethyl acetate 2046.65
    n-propanol 1753.25
    acetone 2679.03
    n-butanol 1359.91
    acetonitrile 1302.68
    DMF 1640.36
    toluene 786.01
    isobutanol 1069.31
    1,4-dioxane 2209.8
    methyl acetate 1268.14
    THF 3118.61
    2-butanone 2084.44
    n-pentanol 1087.49
    sec-butanol 1497.91
    n-hexane 225.87
    ethylene glycol 93.09
    NMP 1034.78
    cyclohexane 363.5
    DMSO 2492.97
    n-butyl acetate 1169.91
    n-octanol 243.1
    chloroform 2633.59
    n-propyl acetate 1219.1
    acetic acid 755.51
    dichloromethane 3052.72
    cyclohexanone 2203.55
    propylene glycol 282.33
    isopropyl acetate 1094.29
    DMAc 1091.9
    2-ethoxyethanol 1188.92
    isopentanol 1104.55
    n-heptane 71.49
    ethyl formate 645.99
    1,2-dichloroethane 2394.95
    n-hexanol 818.85
    2-methoxyethanol 1792.95
    isobutyl acetate 617.42
    tetrachloromethane 349.72
    n-pentyl acetate 554.85
    transcutol 3463.73
    n-heptanol 259.18
    ethylbenzene 338.7
    MIBK 894.73
    2-propoxyethanol 1107.95
    tert-butanol 1834.08
    MTBE 2050.68
    2-butoxyethanol 533.88
    propionic acid 641.62
    o-xylene 335.67
    formic acid 129.65
    diethyl ether 2654.44
    m-xylene 427.34
    p-xylene 364.94
    chlorobenzene 752.15
    dimethyl carbonate 233.35
    n-octane 26.22
    formamide 248.65
    cyclopentanone 1937.19
    2-pentanone 1862.17
    anisole 619.59
    cyclopentyl methyl ether 1666.43
    gamma-butyrolactone 1581.33
    1-methoxy-2-propanol 1405.03
    pyridine 1862.26
    3-pentanone 1044.52
    furfural 1030.08
    n-dodecane 17.76
    diethylene glycol 529.94
    diisopropyl ether 468.75
    tert-amyl alcohol 1471.0
    acetylacetone 1244.35
    n-hexadecane 21.21
    acetophenone 549.43
    methyl propionate 1086.92
    isopentyl acetate 930.4
    trichloroethylene 3292.61
    n-nonanol 215.58
    cyclohexanol 1202.65
    benzyl alcohol 509.55
    2-ethylhexanol 458.56
    isooctanol 231.91
    dipropyl ether 703.08
    1,2-dichlorobenzene 597.68
    ethyl lactate 286.1
    propylene carbonate 727.4
    n-methylformamide 677.86
    2-pentanol 1054.96
    n-pentane 155.77
    1-propoxy-2-propanol 862.89
    1-methoxy-2-propyl acetate 853.28
    2-(2-methoxypropoxy) propanol 491.98
    mesitylene 249.75
    ε-caprolactone 1429.68
    p-cymene 157.91
    epichlorohydrin 2475.98
    1,1,1-trichloroethane 1709.1
    2-aminoethanol 401.13
    morpholine-4-carbaldehyde 1093.16
    sulfolane 1644.67
    2,2,4-trimethylpentane 70.31
    2-methyltetrahydrofuran 2808.64
    n-hexyl acetate 646.93
    isooctane 57.75
    2-(2-butoxyethoxy)ethanol 747.73
    sec-butyl acetate 756.82
    tert-butyl acetate 1039.61
    decalin 115.97
    glycerin 263.46
    diglyme 1412.03
    acrylic acid 356.45
    isopropyl myristate 219.83
    n-butyric acid 1241.32
    acetyl acetate 662.32
    di(2-ethylhexyl) phthalate 182.34
    ethyl propionate 883.93
    nitromethane 1277.65
    1,2-diethoxyethane 1366.99
    benzonitrile 629.9
    trioctyl phosphate 129.21
    1-bromopropane 1831.65
    gamma-valerolactone 1947.79
    n-decanol 147.53
    triethyl phosphate 220.33
    4-methyl-2-pentanol 447.05
    propionitrile 1122.62
    vinylene carbonate 576.11
    1,1,2-trichlorotrifluoroethane 1151.96
    DMS 414.44
    cumene 194.17
    2-octanol 191.54
    2-hexanone 1236.74
    octyl acetate 271.1
    limonene 292.46
    1,2-dimethoxyethane 1921.93
    ethyl orthosilicate 230.43
    tributyl phosphate 181.94
    diacetone alcohol 920.73
    N,N-dimethylaniline 362.39
    acrylonitrile 989.01
    aniline 782.71
    1,3-propanediol 674.59
    bromobenzene 855.87
    dibromomethane 2240.48
    1,1,2,2-tetrachloroethane 2601.11
    2-methyl-cyclohexyl acetate 457.05
    tetrabutyl urea 239.2
    diisobutyl methanol 244.25
    2-phenylethanol 458.54
    styrene 497.64
    dioctyl adipate 329.49
    dimethyl sulfate 347.96
    ethyl butyrate 722.21
    methyl lactate 312.39
    butyl lactate 358.79
    diethyl carbonate 377.46
    propanediol butyl ether 446.94
    triethyl orthoformate 402.68
    p-tert-butyltoluene 152.84
    methyl 4-tert-butylbenzoate 374.26
    morpholine 3362.44
    tert-butylamine 1130.23
    n-dodecanol 107.38
    dimethoxymethane 1351.98
    ethylene carbonate 528.22
    cyrene 399.6
    2-ethoxyethyl acetate 738.56
    2-ethylhexyl acetate 687.86
    1,2,4-trichlorobenzene 669.7
    4-methylpyridine 1678.84
    dibutyl ether 560.55
    2,6-dimethyl-4-heptanol 244.25
    DEF 1552.1
    dimethyl isosorbide 781.61
    tetrachloroethylene 1498.93
    eugenol 376.33
    triacetin 504.82
    span 80 457.59
    1,4-butanediol 256.75
    1,1-dichloroethane 2278.45
    2-methyl-1-pentanol 905.59
    methyl formate 369.89
    2-methyl-1-butanol 1076.76
    n-decane 34.05
    butyronitrile 1347.31
    3,7-dimethyl-1-octanol 289.66
    1-chlorooctane 211.47
    1-chlorotetradecane 66.87
    n-nonane 34.87
    undecane 23.5
    tert-butylcyclohexane 100.87
    cyclooctane 76.52
    cyclopentanol 939.35
    tetrahydropyran 3560.06
    tert-amyl methyl ether 1194.21
    2,5,8-trioxanonane 848.63
    1-hexene 1005.51
    2-isopropoxyethanol 831.12
    2,2,2-trifluoroethanol 123.7
    methyl butyrate 1236.08

    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