5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate

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  • Identifiers

    CAS number
    23960-07-8

    Molecular formula
    C15H24O2

    SMILES
    CC(=CCC(COC(=O)C=C(C)C)C(=C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.05%
    Herbal 72.26%
    Rose 61.46%
    Floral 59.96%
    Sweet 55.18%
    Citrus 50.7%
    Spicy 41.41%
    Woody 40.89%
    Fresh 37.82%
    Mint 37.78%

     

    Flavor
    Herbal 44.6%
    Green 31.75%
    Sweet 30.42%
    Woody 28.79%
    Bergamot 28.08%
    Herb 26.99%
    Bitter 23.53%
    Fruity 22.67%
    Lavender 22.2%
    Spicy 21.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.32 (neutral)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point

    • 115.98 ˚C est.

  • Synonyms

    • 23960-07-8
    • (+/-)-LAVANDULYL SENECIOATE
    • 5-METHYL-2-(PROP-1-EN-2-YL)HEX-4-EN-1-YL 3-METHYLBUT-2-ENOATE
    • (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate
    • SCHEMBL336388
    • orb1696586
    • DTXSID90865125
    • 2-Butenoic acid, 3-methyl-, 5-methyl-2-(1-methylethenyl)-4-hexenyl ester
    • AKOS028114089
    • 2-isopropenyl-5-methyl-4-hexen-1-yl 3-methyl-2-butenoate
    • 2-Butenoic acid, 3-methyl-, 5-methyl-2-(1-methylethenyl)-4-hexen-1-yl ester
    • 23960-07-8

  • Applications

    5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate (CAS 23960-07-8) is commonly used as a fragrance-related intermediate and fragrance component precursor in perfumery. Its unsaturated ester functionality also makes it suitable as a functional monomer or reactive intermediate for polymer, coating, and adhesive formulations. In cosmetics/personal care, it may serve as a fragrance additive or processing aid, while in household cleaning products it can contribute as a fragrance component, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1296.66
    methanol 776.17
    isopropanol 1477.47
    water 0.34
    ethyl acetate 1539.18
    n-propanol 1092.81
    acetone 1507.85
    n-butanol 1186.74
    acetonitrile 801.04
    DMF 1483.45
    toluene 663.24
    isobutanol 1028.81
    1,4-dioxane 2039.28
    methyl acetate 1076.08
    THF 3387.41
    2-butanone 1495.45
    n-pentanol 815.25
    sec-butanol 1501.41
    n-hexane 324.55
    ethylene glycol 80.62
    NMP 1423.92
    cyclohexane 370.48
    DMSO 956.47
    n-butyl acetate 1162.93
    n-octanol 577.26
    chloroform 3374.41
    n-propyl acetate 844.49
    acetic acid 916.67
    dichloromethane 2335.78
    cyclohexanone 1908.22
    propylene glycol 391.01
    isopropyl acetate 1055.14
    DMAc 1360.48
    2-ethoxyethanol 767.63
    isopentanol 1183.93
    n-heptane 166.31
    ethyl formate 661.01
    1,2-dichloroethane 1454.62
    n-hexanol 1212.1
    2-methoxyethanol 1180.43
    isobutyl acetate 643.97
    tetrachloromethane 409.06
    n-pentyl acetate 663.73
    transcutol 2757.73
    n-heptanol 529.85
    ethylbenzene 512.64
    MIBK 876.3
    2-propoxyethanol 1260.59
    tert-butanol 2160.69
    MTBE 1789.01
    2-butoxyethanol 742.25
    propionic acid 750.52
    o-xylene 468.47
    formic acid 156.13
    diethyl ether 1159.05
    m-xylene 576.13
    p-xylene 692.94
    chlorobenzene 874.5
    dimethyl carbonate 341.32
    n-octane 83.59
    formamide 269.6
    cyclopentanone 2036.64
    2-pentanone 1221.07
    anisole 830.5
    cyclopentyl methyl ether 1408.89
    gamma-butyrolactone 1900.66
    1-methoxy-2-propanol 1349.79
    pyridine 1308.38
    3-pentanone 838.92
    furfural 1229.66
    n-dodecane 63.15
    diethylene glycol 601.18
    diisopropyl ether 504.89
    tert-amyl alcohol 1855.49
    acetylacetone 1276.01
    n-hexadecane 73.25
    acetophenone 710.25
    methyl propionate 922.71
    isopentyl acetate 1148.19
    trichloroethylene 2839.17
    n-nonanol 509.87
    cyclohexanol 1293.35
    benzyl alcohol 593.9
    2-ethylhexanol 750.84
    isooctanol 482.98
    dipropyl ether 730.63
    1,2-dichlorobenzene 769.41
    ethyl lactate 400.91
    propylene carbonate 1248.61
    n-methylformamide 530.11
    2-pentanol 1161.82
    n-pentane 210.38
    1-propoxy-2-propanol 1149.74
    1-methoxy-2-propyl acetate 1073.3
    2-(2-methoxypropoxy) propanol 841.86
    mesitylene 378.25
    ε-caprolactone 1601.68
    p-cymene 329.01
    epichlorohydrin 2281.89
    1,1,1-trichloroethane 1919.83
    2-aminoethanol 337.81
    morpholine-4-carbaldehyde 1416.14
    sulfolane 1712.04
    2,2,4-trimethylpentane 145.76
    2-methyltetrahydrofuran 2561.54
    n-hexyl acetate 1091.85
    isooctane 125.93
    2-(2-butoxyethoxy)ethanol 1051.03
    sec-butyl acetate 705.31
    tert-butyl acetate 1221.94
    decalin 201.22
    glycerin 350.27
    diglyme 1547.89
    acrylic acid 463.39
    isopropyl myristate 472.46
    n-butyric acid 1450.99
    acetyl acetate 805.83
    di(2-ethylhexyl) phthalate 385.5
    ethyl propionate 770.06
    nitromethane 1177.54
    1,2-diethoxyethane 1072.11
    benzonitrile 698.89
    trioctyl phosphate 297.69
    1-bromopropane 1114.69
    gamma-valerolactone 2167.17
    n-decanol 386.42
    triethyl phosphate 360.07
    4-methyl-2-pentanol 688.31
    propionitrile 743.07
    vinylene carbonate 899.11
    1,1,2-trichlorotrifluoroethane 1227.51
    DMS 610.04
    cumene 361.32
    2-octanol 452.07
    2-hexanone 945.03
    octyl acetate 571.4
    limonene 545.65
    1,2-dimethoxyethane 1392.56
    ethyl orthosilicate 356.32
    tributyl phosphate 376.78
    diacetone alcohol 1278.12
    N,N-dimethylaniline 576.78
    acrylonitrile 652.59
    aniline 761.16
    1,3-propanediol 713.96
    bromobenzene 928.95
    dibromomethane 1711.73
    1,1,2,2-tetrachloroethane 2674.6
    2-methyl-cyclohexyl acetate 744.67
    tetrabutyl urea 454.04
    diisobutyl methanol 439.17
    2-phenylethanol 701.38
    styrene 552.21
    dioctyl adipate 616.27
    dimethyl sulfate 441.83
    ethyl butyrate 788.26
    methyl lactate 466.98
    butyl lactate 545.29
    diethyl carbonate 532.68
    propanediol butyl ether 814.06
    triethyl orthoformate 558.23
    p-tert-butyltoluene 335.95
    methyl 4-tert-butylbenzoate 746.41
    morpholine 2564.14
    tert-butylamine 1374.74
    n-dodecanol 301.86
    dimethoxymethane 953.41
    ethylene carbonate 844.7
    cyrene 636.68
    2-ethoxyethyl acetate 787.52
    2-ethylhexyl acetate 857.48
    1,2,4-trichlorobenzene 926.05
    4-methylpyridine 1532.12
    dibutyl ether 800.3
    2,6-dimethyl-4-heptanol 439.17
    DEF 1042.26
    dimethyl isosorbide 1367.83
    tetrachloroethylene 1277.7
    eugenol 637.3
    triacetin 805.0
    span 80 867.16
    1,4-butanediol 255.82
    1,1-dichloroethane 1970.49
    2-methyl-1-pentanol 866.44
    methyl formate 409.59
    2-methyl-1-butanol 1074.54
    n-decane 109.44
    butyronitrile 1020.23
    3,7-dimethyl-1-octanol 651.7
    1-chlorooctane 433.62
    1-chlorotetradecane 181.34
    n-nonane 111.66
    undecane 79.97
    tert-butylcyclohexane 213.52
    cyclooctane 119.45
    cyclopentanol 1234.51
    tetrahydropyran 2490.75
    tert-amyl methyl ether 1146.15
    2,5,8-trioxanonane 1075.47
    1-hexene 797.95
    2-isopropoxyethanol 682.91
    2,2,2-trifluoroethanol 251.8
    methyl butyrate 982.01

    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