2-Methyl-2-[(1,2,4-trimethyl-2-penten-1-yl)oxy]propyl cyclopropanecarboxylate

  • Identifiers

    Molecular formula
    C16H28O3

    SMILES
    CC(C)C=C(C)C(C)OC(C)(C)COC(=O)C1CC1

  • Odor profile

    Fragrance
    Floral 56.89%
    Woody 52.47%
    Herbal 39.71%
    Mint 33.58%
    Dry 30.53%
    Rose 30.04%
    Musk 26.67%
    Fresh 26.64%
    Amber 26.45%
    Sweet 25.36%

     

    Flavor
    Green 47.0%
    Fruity 44.57%
    Herbal 40.22%
    Tropical 34.62%
    Woody 26.84%
    Sweet 25.91%
    Berry 25.86%
    Floral 25.76%
    Bergamot 25.24%
    Bitter 24.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.13 (weak base)

    Molecular weight
    268.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 114.17 ˚C est.

  • Synonyms

    • 2-Methyl-2-[(1,2,4-trimethyl-2-penten-1-yl)oxy]propyl cyclopropanecarboxylate
    • 2-Methyl-2-((1,2,4-trimethyl-2-penten-1-yl)oxy)propyl cyclopropanecarboxylate
    • SCHEMBL692443
    • DTXSID50889201
    • ZYIJXTQXQNXPSH-UHFFFAOYSA-N
    • NS00003123
  • Applications

    2-Methyl-2-[(1,2,4-trimethyl-2-penten-1-yl)oxy]propyl cyclopropanecarboxylate is typically used in perfumery as a fragrance ingredient and fixative, providing durable aroma profiles; it is also evaluated for cosmetics and personal care formulations as a fragrance component; in household products such as cleaners and air fresheners, it contributes a characteristic scent; and in industrial manufacturing it can serve as an intermediate for the synthesis of fragrance-related specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1115.83
    methanol 859.23
    isopropanol 982.23
    water 0.46
    ethyl acetate 1275.14
    n-propanol 941.95
    acetone 1002.25
    n-butanol 1000.52
    acetonitrile 666.62
    DMF 760.74
    toluene 725.62
    isobutanol 833.67
    1,4-dioxane 1410.56
    methyl acetate 888.61
    THF 1794.5
    2-butanone 1002.65
    n-pentanol 833.64
    sec-butanol 1059.86
    n-hexane 268.43
    ethylene glycol 104.38
    NMP 679.2
    cyclohexane 354.16
    DMSO 572.01
    n-butyl acetate 1055.61
    n-octanol 428.0
    chloroform 2556.72
    n-propyl acetate 876.64
    acetic acid 902.39
    dichloromethane 2002.27
    cyclohexanone 1301.72
    propylene glycol 199.46
    isopropyl acetate 1065.84
    DMAc 1124.77
    2-ethoxyethanol 1005.29
    isopentanol 1018.5
    n-heptane 111.03
    ethyl formate 560.75
    1,2-dichloroethane 1237.18
    n-hexanol 813.81
    2-methoxyethanol 1074.81
    isobutyl acetate 722.23
    tetrachloromethane 466.19
    n-pentyl acetate 730.7
    transcutol 2179.43
    n-heptanol 404.46
    ethylbenzene 516.3
    MIBK 792.27
    2-propoxyethanol 1130.95
    tert-butanol 1180.09
    MTBE 1887.26
    2-butoxyethanol 702.24
    propionic acid 509.34
    o-xylene 491.06
    formic acid 213.96
    diethyl ether 1515.13
    m-xylene 516.21
    p-xylene 679.54
    chlorobenzene 694.23
    dimethyl carbonate 279.31
    n-octane 57.95
    formamide 242.61
    cyclopentanone 957.05
    2-pentanone 1081.63
    anisole 755.81
    cyclopentyl methyl ether 1076.09
    gamma-butyrolactone 932.74
    1-methoxy-2-propanol 913.54
    pyridine 882.18
    3-pentanone 799.8
    furfural 756.23
    n-dodecane 42.24
    diethylene glycol 629.56
    diisopropyl ether 591.64
    tert-amyl alcohol 1220.86
    acetylacetone 942.83
    n-hexadecane 49.11
    acetophenone 662.22
    methyl propionate 721.7
    isopentyl acetate 1083.28
    trichloroethylene 1982.23
    n-nonanol 382.93
    cyclohexanol 963.71
    benzyl alcohol 544.62
    2-ethylhexanol 533.04
    isooctanol 352.5
    dipropyl ether 577.89
    1,2-dichlorobenzene 649.68
    ethyl lactate 320.58
    propylene carbonate 666.29
    n-methylformamide 363.34
    2-pentanol 861.35
    n-pentane 217.04
    1-propoxy-2-propanol 765.3
    1-methoxy-2-propyl acetate 848.06
    2-(2-methoxypropoxy) propanol 564.49
    mesitylene 332.85
    ε-caprolactone 1227.6
    p-cymene 279.66
    epichlorohydrin 1477.33
    1,1,1-trichloroethane 1433.0
    2-aminoethanol 303.81
    morpholine-4-carbaldehyde 1037.4
    sulfolane 755.54
    2,2,4-trimethylpentane 146.39
    2-methyltetrahydrofuran 1634.17
    n-hexyl acetate 967.45
    isooctane 107.38
    2-(2-butoxyethoxy)ethanol 798.68
    sec-butyl acetate 818.34
    tert-butyl acetate 956.51
    decalin 198.39
    glycerin 240.63
    diglyme 1402.25
    acrylic acid 353.75
    isopropyl myristate 310.3
    n-butyric acid 939.98
    acetyl acetate 733.3
    di(2-ethylhexyl) phthalate 273.77
    ethyl propionate 772.45
    nitromethane 846.41
    1,2-diethoxyethane 1070.26
    benzonitrile 578.75
    trioctyl phosphate 205.68
    1-bromopropane 1066.44
    gamma-valerolactone 1266.23
    n-decanol 259.03
    triethyl phosphate 285.23
    4-methyl-2-pentanol 554.73
    propionitrile 610.32
    vinylene carbonate 573.38
    1,1,2-trichlorotrifluoroethane 842.13
    DMS 607.65
    cumene 375.3
    2-octanol 328.23
    2-hexanone 847.14
    octyl acetate 401.24
    limonene 402.73
    1,2-dimethoxyethane 1515.52
    ethyl orthosilicate 310.59
    tributyl phosphate 255.94
    diacetone alcohol 748.31
    N,N-dimethylaniline 536.45
    acrylonitrile 535.72
    aniline 514.57
    1,3-propanediol 562.44
    bromobenzene 808.05
    dibromomethane 1482.47
    1,1,2,2-tetrachloroethane 1732.98
    2-methyl-cyclohexyl acetate 542.75
    tetrabutyl urea 287.39
    diisobutyl methanol 290.19
    2-phenylethanol 582.5
    styrene 545.47
    dioctyl adipate 382.23
    dimethyl sulfate 312.6
    ethyl butyrate 669.75
    methyl lactate 275.29
    butyl lactate 427.5
    diethyl carbonate 430.59
    propanediol butyl ether 517.29
    triethyl orthoformate 462.16
    p-tert-butyltoluene 256.32
    methyl 4-tert-butylbenzoate 489.05
    morpholine 1610.4
    tert-butylamine 813.08
    n-dodecanol 187.12
    dimethoxymethane 863.62
    ethylene carbonate 577.31
    cyrene 433.9
    2-ethoxyethyl acetate 884.3
    2-ethylhexyl acetate 874.51
    1,2,4-trichlorobenzene 742.1
    4-methylpyridine 1131.4
    dibutyl ether 598.97
    2,6-dimethyl-4-heptanol 290.19
    DEF 958.07
    dimethyl isosorbide 750.78
    tetrachloroethylene 1116.26
    eugenol 433.45
    triacetin 656.0
    span 80 456.3
    1,4-butanediol 311.45
    1,1-dichloroethane 1520.33
    2-methyl-1-pentanol 885.42
    methyl formate 298.35
    2-methyl-1-butanol 957.1
    n-decane 81.69
    butyronitrile 834.64
    3,7-dimethyl-1-octanol 444.5
    1-chlorooctane 326.61
    1-chlorotetradecane 118.68
    n-nonane 79.13
    undecane 54.54
    tert-butylcyclohexane 178.67
    cyclooctane 122.42
    cyclopentanol 675.45
    tetrahydropyran 1728.77
    tert-amyl methyl ether 1257.46
    2,5,8-trioxanonane 811.91
    1-hexene 685.25
    2-isopropoxyethanol 870.46
    2,2,2-trifluoroethanol 261.2
    methyl butyrate 973.77

    Scent© AI

1 of 4
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