Methyl 1-methyl-3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxylate

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  • Identifiers

    CAS number
    65652-28-0

    Molecular formula
    C15H24O2

    SMILES
    CC(=CCCC1=CCCC(C1)(C)C(=O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 62.85%
    Sweet 56.54%
    Citrus 50.33%
    Fruity 49.16%
    Fresh 46.26%
    Green 43.98%
    Herbal 42.44%
    Woody 40.93%
    Waxy 38.45%
    Aldehydic 35.9%

     

    Flavor
    Fruity 50.2%
    Floral 46.62%
    Woody 36.8%
    Herbal 36.75%
    Spicy 35.74%
    Rose 31.57%
    Green 29.51%
    Jasmin 27.94%
    Fresh 27.01%
    Wood 26.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.5 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 127.37 ˚C est.

  • Synonyms

    • 65652-28-0
    • Methyl 1-methyl-3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxylate
    • methyl 1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
    • 68928-84-7
    • methyl 1-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carboxylate
    • 3-Cyclohexene-1-carboxylic acid, 1-methyl-3(or 4)-(4-methyl-3-pentenyl)-, methyl ester
    • 3-Cyclohexene-1-carboxylic acid, 1-methyl-3-(4-methyl-3-pentenyl)-, methyl ester
    • 3-Cyclohexene-1-carboxylic acid, 1-methyl-3-(4-methyl-3-penten-1-yl)-, methyl ester
    • DTXSID40275997
    • DTXSID80867173
    • FIOIVVKQUPSJFR-UHFFFAOYSA-N
    • EINECS 265-854-0
    • 1-Methyl-(3 or 4)-(4-methylpent-3-enyl)cyclohex-3-enecarboxylic acid
    • 3-Cyclohexene-1-carboxylic acid, 1-methyl-3(or 4)-(4-methyl-3-penten-1-yl)-, methyl ester
    • 146918-71-0
    • 65652-28-0

  • Applications

    Methyl 1-methyl-3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxylate (CAS 65652-28-0) is primarily used as a fragrance ingredient and as an intermediate in fragrance synthesis, providing characteristic notes and serving as a versatile building block for related aroma compounds. In cosmetics and personal care, it appears as a fragrance component in products such as perfumes, lotions, and shampoos; in household products, it can function as a scent additive in cleaners and air fresheners. In industrial manufacturing and fragrance formulation, it is commonly evaluated for use as an aroma chemical and intermediate, enabling the construction of complex blends; it may also be considered for flavor/fragrance applications, subject to regulatory approvals and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1087.55
    methanol 833.85
    isopropanol 845.96
    water 0.12
    ethyl acetate 1300.97
    n-propanol 820.95
    acetone 592.37
    n-butanol 897.93
    acetonitrile 501.88
    DMF 611.82
    toluene 759.23
    isobutanol 611.51
    1,4-dioxane 1510.18
    methyl acetate 683.99
    THF 1535.05
    2-butanone 759.46
    n-pentanol 577.3
    sec-butanol 749.61
    n-hexane 95.48
    ethylene glycol 37.01
    NMP 391.3
    cyclohexane 157.35
    DMSO 252.58
    n-butyl acetate 840.2
    n-octanol 258.38
    chloroform 2040.34
    n-propyl acetate 617.27
    acetic acid 412.39
    dichloromethane 1598.5
    cyclohexanone 874.58
    propylene glycol 106.33
    isopropyl acetate 842.44
    DMAc 593.3
    2-ethoxyethanol 635.39
    isopentanol 860.43
    n-heptane 45.99
    ethyl formate 441.36
    1,2-dichloroethane 932.91
    n-hexanol 699.97
    2-methoxyethanol 918.2
    isobutyl acetate 442.66
    tetrachloromethane 253.61
    n-pentyl acetate 428.52
    transcutol 2349.01
    n-heptanol 300.82
    ethylbenzene 359.61
    MIBK 570.66
    2-propoxyethanol 876.58
    tert-butanol 1065.11
    MTBE 1371.52
    2-butoxyethanol 494.83
    propionic acid 294.0
    o-xylene 394.08
    formic acid 98.32
    diethyl ether 1376.54
    m-xylene 518.69
    p-xylene 412.72
    chlorobenzene 602.8
    dimethyl carbonate 186.55
    n-octane 25.28
    formamide 167.02
    cyclopentanone 654.96
    2-pentanone 834.45
    anisole 591.19
    cyclopentyl methyl ether 788.29
    gamma-butyrolactone 643.59
    1-methoxy-2-propanol 770.82
    pyridine 940.85
    3-pentanone 531.51
    furfural 616.88
    n-dodecane 18.62
    diethylene glycol 362.35
    diisopropyl ether 412.06
    tert-amyl alcohol 875.69
    acetylacetone 639.11
    n-hexadecane 22.19
    acetophenone 440.83
    methyl propionate 610.13
    isopentyl acetate 792.42
    trichloroethylene 1696.87
    n-nonanol 235.93
    cyclohexanol 600.72
    benzyl alcohol 414.02
    2-ethylhexanol 400.92
    isooctanol 264.53
    dipropyl ether 438.68
    1,2-dichlorobenzene 519.72
    ethyl lactate 187.6
    propylene carbonate 459.54
    n-methylformamide 288.34
    2-pentanol 706.36
    n-pentane 93.5
    1-propoxy-2-propanol 629.56
    1-methoxy-2-propyl acetate 707.98
    2-(2-methoxypropoxy) propanol 438.32
    mesitylene 303.62
    ε-caprolactone 804.41
    p-cymene 190.56
    epichlorohydrin 1129.35
    1,1,1-trichloroethane 1005.09
    2-aminoethanol 183.18
    morpholine-4-carbaldehyde 738.18
    sulfolane 445.57
    2,2,4-trimethylpentane 62.09
    2-methyltetrahydrofuran 1175.87
    n-hexyl acetate 570.47
    isooctane 61.41
    2-(2-butoxyethoxy)ethanol 667.92
    sec-butyl acetate 545.49
    tert-butyl acetate 805.6
    decalin 86.11
    glycerin 131.36
    diglyme 1104.47
    acrylic acid 180.19
    isopropyl myristate 199.25
    n-butyric acid 747.93
    acetyl acetate 544.15
    di(2-ethylhexyl) phthalate 178.17
    ethyl propionate 534.95
    nitromethane 516.81
    1,2-diethoxyethane 948.96
    benzonitrile 496.71
    trioctyl phosphate 124.9
    1-bromopropane 785.78
    gamma-valerolactone 971.96
    n-decanol 158.98
    triethyl phosphate 179.32
    4-methyl-2-pentanol 418.93
    propionitrile 577.55
    vinylene carbonate 432.03
    1,1,2-trichlorotrifluoroethane 507.12
    DMS 347.39
    cumene 236.52
    2-octanol 213.91
    2-hexanone 528.08
    octyl acetate 240.02
    limonene 256.51
    1,2-dimethoxyethane 999.58
    ethyl orthosilicate 204.56
    tributyl phosphate 158.15
    diacetone alcohol 627.41
    N,N-dimethylaniline 372.36
    acrylonitrile 484.22
    aniline 565.01
    1,3-propanediol 432.29
    bromobenzene 675.29
    dibromomethane 1129.98
    1,1,2,2-tetrachloroethane 1314.4
    2-methyl-cyclohexyl acetate 358.99
    tetrabutyl urea 178.94
    diisobutyl methanol 214.36
    2-phenylethanol 465.36
    styrene 430.74
    dioctyl adipate 248.53
    dimethyl sulfate 180.44
    ethyl butyrate 530.51
    methyl lactate 178.66
    butyl lactate 281.16
    diethyl carbonate 309.26
    propanediol butyl ether 357.73
    triethyl orthoformate 329.46
    p-tert-butyltoluene 190.8
    methyl 4-tert-butylbenzoate 361.82
    morpholine 1734.71
    tert-butylamine 757.0
    n-dodecanol 114.6
    dimethoxymethane 760.57
    ethylene carbonate 393.23
    cyrene 299.39
    2-ethoxyethyl acetate 609.2
    2-ethylhexyl acetate 582.76
    1,2,4-trichlorobenzene 538.17
    4-methylpyridine 1049.43
    dibutyl ether 355.89
    2,6-dimethyl-4-heptanol 214.36
    DEF 750.7
    dimethyl isosorbide 643.27
    tetrachloroethylene 780.51
    eugenol 351.98
    triacetin 407.34
    span 80 360.5
    1,4-butanediol 144.09
    1,1-dichloroethane 1116.67
    2-methyl-1-pentanol 594.84
    methyl formate 188.57
    2-methyl-1-butanol 749.72
    n-decane 36.61
    butyronitrile 814.55
    3,7-dimethyl-1-octanol 293.4
    1-chlorooctane 186.87
    1-chlorotetradecane 63.67
    n-nonane 34.4
    undecane 24.64
    tert-butylcyclohexane 86.82
    cyclooctane 53.99
    cyclopentanol 413.36
    tetrahydropyran 1569.5
    tert-amyl methyl ether 797.82
    2,5,8-trioxanonane 679.44
    1-hexene 373.77
    2-isopropoxyethanol 506.13
    2,2,2-trifluoroethanol 100.24
    methyl butyrate 651.35

    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