Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate

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  • Identifiers

    CAS number
    24198-95-6

    Molecular formula
    C16H26O3

    SMILES
    C/C(=C\CC/C(=C/C(=O)OC)/C)/CCC1C(O1)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 77.02%
    Sweet 55.36%
    Fruity 51.15%
    Rose 50.14%
    Fresh 45.78%
    Woody 43.28%
    Citrus 42.81%
    Waxy 39.01%
    Green 33.51%
    Powdery 32.12%

     

    Flavor
    Floral 58.26%
    Woody 41.99%
    Fruity 40.76%
    Green 40.29%
    Tropical 34.22%
    Herbal 32.86%
    Rose 32.51%
    Sweet 30.92%
    Bergamot 30.23%
    Waxy 28.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.33 (neutral)

    Molecular weight
    266.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point

    • 129.15 ˚C est.

  • Synonyms

    • Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate
    • RefChem:812004
    • 24198-95-6
    • Juvenate
    • trans-trans-10,11-Epoxy Farnesenic Acid Methyl Ester
    • methyl (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoate
    • (Rac)-Juvenile hormone III
    • 5255-04-9
    • (E,E)-Methyl 3,7,11-trimethyl-10,11-epoxy-2,6-dodecadienoate
    • (2E,6E)- 9-(3,3-Dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoic Acid Methyl Ester
    • (2E,6E)-9-(3,3-Dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoic acid methyl ester
    • 2,6-Nonadienoic acid, 9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-, methyl ester, (2E,6E)-
    • trans-trans-10,11-Epoxyfarnesenic acid methyl ester
    • Methyl farnesoate 10,11-epoxide
    • EINECS 246-072-9
    • NSC-688246
    • SJH I
    • (+/-)-Juvenile hormone III
    • MEGxp0_001814
    • orb1941240
    • SCHEMBL4420765
    • CHEMBL1967398
    • CHEBI:233293
    • DTXSID601033769
    • HY-N7240
    • MSK163410
    • NSC688246
    • Methyl (2E,6E)-(1)-9-(3,3-dimethyloxiranyl)-3,7-dimethylnona-2,6-dienoate
    • FE22753
    • Methyl trans,trans-10,11-epoxyfarnesoate
    • DB-222691
    • CS-0108255
    • G85635
    • Methyl 10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate
    • Methyl 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-2,6-nonadienoate
    • methyl-(2e,6e)-10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate
    • 2,6-Dodecadienoic acid, 10,11-epoxy-3,7,11-trimethyl-, methyl ester
    • (E,E)-(+/-)-10,11-Epoxy-3,7,11-trimethyl-2,6-dodec adienoic acid methyl ester
    • 2,6-Dodecadienoic acid, 10,11-epoxy-3,7,11-trimethyl-, methyl ester, (E,E)-
    • 2,6-Nonadienoic acid, 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-, methyl ester
    • 2,6-Nonadienoic acid, 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-, methyl ester, (E,E)-
    • 2,6-Nonadienoic acid, 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-, methyl ester, (E,E)-(+-)-
    • 2,6-Nonadienoicacid,9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-,methylester,(2E,6E)-
    • Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate #
    • methyl (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nona-2,6-dienoate
    • 5255-04-9

  • Applications

    Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate, CAS 24198-95-6, is primarily used as an intermediate and building block in fragrance and cosmetic chemistry, supporting the synthesis of aroma compounds and formulation of fragrances; it also serves as a reactive monomer or crosslinking component in polymer and coating applications, where the epoxide (oxiranyl) moiety enables ring-opening reactions for polymerization or crosslinking, and may be used in coatings/inks as a reactive diluent or monomer. Overall, it is employed in industrial manufacturing as an intermediate for specialty chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 596.7
    methanol 408.07
    isopropanol 386.39
    water 0.07
    ethyl acetate 317.78
    n-propanol 351.03
    acetone 176.0
    n-butanol 323.01
    acetonitrile 132.2
    DMF 104.98
    toluene 138.45
    isobutanol 205.25
    1,4-dioxane 681.09
    methyl acetate 209.85
    THF 759.11
    2-butanone 238.54
    n-pentanol 263.83
    sec-butanol 341.93
    n-hexane 12.04
    ethylene glycol 30.91
    NMP 81.43
    cyclohexane 25.67
    DMSO 139.46
    n-butyl acetate 167.63
    n-octanol 83.18
    chloroform 737.53
    n-propyl acetate 185.21
    acetic acid 170.2
    dichloromethane 502.3
    cyclohexanone 227.25
    propylene glycol 122.58
    isopropyl acetate 194.82
    DMAc 205.25
    2-ethoxyethanol 459.28
    isopentanol 236.32
    n-heptane 7.52
    ethyl formate 110.14
    1,2-dichloroethane 212.24
    n-hexanol 223.9
    2-methoxyethanol 531.98
    isobutyl acetate 149.28
    tetrachloromethane 49.06
    n-pentyl acetate 103.72
    transcutol 1030.24
    n-heptanol 83.12
    ethylbenzene 83.26
    MIBK 145.86
    2-propoxyethanol 454.45
    tert-butanol 360.66
    MTBE 313.31
    2-butoxyethanol 203.89
    propionic acid 116.64
    o-xylene 72.69
    formic acid 52.21
    diethyl ether 336.74
    m-xylene 85.89
    p-xylene 104.47
    chlorobenzene 119.16
    dimethyl carbonate 41.36
    n-octane 4.08
    formamide 74.93
    cyclopentanone 174.55
    2-pentanone 186.52
    anisole 197.16
    cyclopentyl methyl ether 195.67
    gamma-butyrolactone 150.4
    1-methoxy-2-propanol 423.32
    pyridine 290.74
    3-pentanone 124.02
    furfural 172.01
    n-dodecane 4.84
    diethylene glycol 253.16
    diisopropyl ether 72.32
    tert-amyl alcohol 285.66
    acetylacetone 177.62
    n-hexadecane 5.44
    acetophenone 146.16
    methyl propionate 152.79
    isopentyl acetate 169.64
    trichloroethylene 404.2
    n-nonanol 80.2
    cyclohexanol 177.81
    benzyl alcohol 168.92
    2-ethylhexanol 103.84
    isooctanol 69.39
    dipropyl ether 104.14
    1,2-dichlorobenzene 102.74
    ethyl lactate 91.69
    propylene carbonate 104.89
    n-methylformamide 69.34
    2-pentanol 219.14
    n-pentane 12.34
    1-propoxy-2-propanol 282.53
    1-methoxy-2-propyl acetate 241.36
    2-(2-methoxypropoxy) propanol 211.34
    mesitylene 48.63
    ε-caprolactone 222.53
    p-cymene 43.75
    epichlorohydrin 383.61
    1,1,1-trichloroethane 211.16
    2-aminoethanol 134.62
    morpholine-4-carbaldehyde 237.34
    sulfolane 128.13
    2,2,4-trimethylpentane 10.79
    2-methyltetrahydrofuran 440.39
    n-hexyl acetate 154.5
    isooctane 8.94
    2-(2-butoxyethoxy)ethanol 316.31
    sec-butyl acetate 162.84
    tert-butyl acetate 187.57
    decalin 15.92
    glycerin 103.84
    diglyme 470.77
    acrylic acid 68.31
    isopropyl myristate 63.41
    n-butyric acid 208.61
    acetyl acetate 133.74
    di(2-ethylhexyl) phthalate 67.58
    ethyl propionate 140.26
    nitromethane 154.95
    1,2-diethoxyethane 305.14
    benzonitrile 129.19
    trioctyl phosphate 41.73
    1-bromopropane 182.63
    gamma-valerolactone 335.81
    n-decanol 56.7
    triethyl phosphate 65.01
    4-methyl-2-pentanol 116.0
    propionitrile 131.63
    vinylene carbonate 103.51
    1,1,2-trichlorotrifluoroethane 225.83
    DMS 110.89
    cumene 55.43
    2-octanol 57.66
    2-hexanone 176.52
    octyl acetate 77.33
    limonene 56.54
    1,2-dimethoxyethane 524.58
    ethyl orthosilicate 68.57
    tributyl phosphate 52.92
    diacetone alcohol 215.8
    N,N-dimethylaniline 117.11
    acrylonitrile 111.31
    aniline 141.48
    1,3-propanediol 236.82
    bromobenzene 125.03
    dibromomethane 323.39
    1,1,2,2-tetrachloroethane 362.91
    2-methyl-cyclohexyl acetate 128.4
    tetrabutyl urea 64.71
    diisobutyl methanol 54.67
    2-phenylethanol 169.8
    styrene 92.03
    dioctyl adipate 91.04
    dimethyl sulfate 42.41
    ethyl butyrate 129.83
    methyl lactate 75.5
    butyl lactate 97.52
    diethyl carbonate 87.89
    propanediol butyl ether 185.9
    triethyl orthoformate 107.41
    p-tert-butyltoluene 41.76
    methyl 4-tert-butylbenzoate 114.42
    morpholine 836.03
    tert-butylamine 186.11
    n-dodecanol 41.32
    dimethoxymethane 222.01
    ethylene carbonate 97.24
    cyrene 146.69
    2-ethoxyethyl acetate 197.6
    2-ethylhexyl acetate 131.93
    1,2,4-trichlorobenzene 122.65
    4-methylpyridine 258.64
    dibutyl ether 101.6
    2,6-dimethyl-4-heptanol 54.67
    DEF 145.3
    dimethyl isosorbide 269.95
    tetrachloroethylene 179.71
    eugenol 125.45
    triacetin 166.08
    span 80 172.76
    1,4-butanediol 108.17
    1,1-dichloroethane 275.21
    2-methyl-1-pentanol 211.53
    methyl formate 41.02
    2-methyl-1-butanol 204.31
    n-decane 8.54
    butyronitrile 181.16
    3,7-dimethyl-1-octanol 95.17
    1-chlorooctane 45.0
    1-chlorotetradecane 17.68
    n-nonane 7.13
    undecane 6.22
    tert-butylcyclohexane 15.25
    cyclooctane 7.47
    cyclopentanol 149.45
    tetrahydropyran 585.63
    tert-amyl methyl ether 190.22
    2,5,8-trioxanonane 313.03
    1-hexene 67.75
    2-isopropoxyethanol 316.0
    2,2,2-trifluoroethanol 34.54
    methyl butyrate 169.57

    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