4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    53889-39-7

    Molecular formula
    C15H24O2

    SMILES
    CC(=CCCC1=CCC(CC1)COC(=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 84.02%
    Sweet 69.99%
    Fruity 63.03%
    Green 61.42%
    Fresh 59.41%
    Citrus 58.89%
    Rose 54.04%
    Waxy 46.31%
    Herbal 41.44%
    Woody 40.96%

     

    Flavor
    Floral 49.78%
    Rose 46.14%
    Green 41.69%
    Spicy 38.06%
    Fruity 37.16%
    Herbal 36.16%
    Fresh 35.93%
    Waxy 31.79%
    Tropical 29.69%
    Sweet 29.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.81 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 132.95 ˚C est.

  • Synonyms

    • 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate
    • EINECS 258-840-0
    • 3Z6WVZ93GQ
    • UNII-3Z6WVZ93GQ
    • DTXSID30968664
    • [4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl acetate
    • 5-(4-(ACETOXYMETHYL)-1-CYCLOHEXENYL)-2-METHYL-2-PENTENE
    • (4-(4-METHYLPENT-3-EN-1-YL)CYCLOHEX-3-EN-1-YL)METHYL ACETATE
    • 3-CYCLOHEXENE-1-METHANOL, 4-(4-METHYL-3-PENTEN-1-YL)-, 1-ACETATE
    • RefChem:97258
    • DTXCID801396236
    • 258-840-0
    • 53889-39-7
    • [4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl acetate
    • SCHEMBL1171779
    • HTQLNWONIAXQKC-UHFFFAOYSA-N
    • NS00056905
    • Q27258242
    • 53889-39-7

  • Applications

    4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate (CAS 53889-39-7) is commonly used as a fragrance ingredient and odor fixative in perfumery, cosmetics, and personal care products; it is also applied in household-scented products such as air fresheners and cleaners to extend and stabilize aroma; depending on regulatory status, it may be evaluated as an aroma ingredient in food flavor applications; in industrial manufacturing it can serve as an intermediate or building block for the synthesis of more complex aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 696.31
    methanol 440.96
    isopropanol 617.74
    water 0.08
    ethyl acetate 742.08
    n-propanol 501.83
    acetone 428.74
    n-butanol 506.41
    acetonitrile 324.56
    DMF 235.74
    toluene 363.76
    isobutanol 317.97
    1,4-dioxane 1273.95
    methyl acetate 430.78
    THF 1136.8
    2-butanone 512.08
    n-pentanol 363.6
    sec-butanol 504.94
    n-hexane 56.53
    ethylene glycol 26.73
    NMP 173.88
    cyclohexane 97.07
    DMSO 309.22
    n-butyl acetate 385.78
    n-octanol 115.86
    chloroform 1505.02
    n-propyl acetate 352.89
    acetic acid 220.63
    dichloromethane 1042.74
    cyclohexanone 506.28
    propylene glycol 119.09
    isopropyl acetate 457.03
    DMAc 401.51
    2-ethoxyethanol 470.34
    isopentanol 410.8
    n-heptane 23.52
    ethyl formate 193.7
    1,2-dichloroethane 597.0
    n-hexanol 367.34
    2-methoxyethanol 581.06
    isobutyl acetate 256.92
    tetrachloromethane 123.44
    n-pentyl acetate 201.46
    transcutol 2259.95
    n-heptanol 123.45
    ethylbenzene 176.13
    MIBK 302.43
    2-propoxyethanol 577.97
    tert-butanol 666.7
    MTBE 739.02
    2-butoxyethanol 265.03
    propionic acid 187.71
    o-xylene 185.06
    formic acid 42.96
    diethyl ether 910.55
    m-xylene 225.03
    p-xylene 202.21
    chlorobenzene 275.56
    dimethyl carbonate 87.7
    n-octane 11.1
    formamide 74.52
    cyclopentanone 369.69
    2-pentanone 434.22
    anisole 350.59
    cyclopentyl methyl ether 477.04
    gamma-butyrolactone 350.07
    1-methoxy-2-propanol 548.15
    pyridine 574.48
    3-pentanone 291.35
    furfural 336.48
    n-dodecane 9.79
    diethylene glycol 264.9
    diisopropyl ether 194.43
    tert-amyl alcohol 479.02
    acetylacetone 413.52
    n-hexadecane 11.58
    acetophenone 253.44
    methyl propionate 315.19
    isopentyl acetate 373.39
    trichloroethylene 984.19
    n-nonanol 114.4
    cyclohexanol 349.22
    benzyl alcohol 244.33
    2-ethylhexanol 191.2
    isooctanol 107.61
    dipropyl ether 264.78
    1,2-dichlorobenzene 249.23
    ethyl lactate 130.27
    propylene carbonate 237.98
    n-methylformamide 108.64
    2-pentanol 369.42
    n-pentane 44.03
    1-propoxy-2-propanol 423.54
    1-methoxy-2-propyl acetate 453.76
    2-(2-methoxypropoxy) propanol 333.8
    mesitylene 133.66
    ε-caprolactone 457.11
    p-cymene 90.78
    epichlorohydrin 688.43
    1,1,1-trichloroethane 565.76
    2-aminoethanol 128.63
    morpholine-4-carbaldehyde 439.78
    sulfolane 291.41
    2,2,4-trimethylpentane 29.47
    2-methyltetrahydrofuran 883.38
    n-hexyl acetate 302.11
    isooctane 24.75
    2-(2-butoxyethoxy)ethanol 499.13
    sec-butyl acetate 306.84
    tert-butyl acetate 436.81
    decalin 49.91
    glycerin 121.53
    diglyme 822.7
    acrylic acid 105.94
    isopropyl myristate 120.14
    n-butyric acid 401.07
    acetyl acetate 320.9
    di(2-ethylhexyl) phthalate 115.46
    ethyl propionate 285.27
    nitromethane 300.22
    1,2-diethoxyethane 734.95
    benzonitrile 263.46
    trioctyl phosphate 70.01
    1-bromopropane 464.77
    gamma-valerolactone 599.45
    n-decanol 85.69
    triethyl phosphate 122.12
    4-methyl-2-pentanol 204.67
    propionitrile 308.19
    vinylene carbonate 213.54
    1,1,2-trichlorotrifluoroethane 366.06
    DMS 223.82
    cumene 115.17
    2-octanol 84.38
    2-hexanone 330.95
    octyl acetate 141.58
    limonene 137.85
    1,2-dimethoxyethane 705.82
    ethyl orthosilicate 130.84
    tributyl phosphate 101.18
    diacetone alcohol 377.4
    N,N-dimethylaniline 206.93
    acrylonitrile 250.57
    aniline 325.63
    1,3-propanediol 272.13
    bromobenzene 317.93
    dibromomethane 709.39
    1,1,2,2-tetrachloroethane 917.75
    2-methyl-cyclohexyl acetate 226.34
    tetrabutyl urea 113.93
    diisobutyl methanol 113.62
    2-phenylethanol 252.35
    styrene 216.74
    dioctyl adipate 179.64
    dimethyl sulfate 103.35
    ethyl butyrate 279.49
    methyl lactate 117.26
    butyl lactate 161.62
    diethyl carbonate 178.28
    propanediol butyl ether 265.29
    triethyl orthoformate 207.27
    p-tert-butyltoluene 92.5
    methyl 4-tert-butylbenzoate 222.23
    morpholine 1403.18
    tert-butylamine 402.1
    n-dodecanol 65.15
    dimethoxymethane 364.98
    ethylene carbonate 200.59
    cyrene 202.35
    2-ethoxyethyl acetate 346.52
    2-ethylhexyl acetate 279.83
    1,2,4-trichlorobenzene 304.36
    4-methylpyridine 584.78
    dibutyl ether 233.51
    2,6-dimethyl-4-heptanol 113.62
    DEF 353.74
    dimethyl isosorbide 453.65
    tetrachloroethylene 479.3
    eugenol 204.43
    triacetin 319.32
    span 80 275.17
    1,4-butanediol 96.84
    1,1-dichloroethane 718.39
    2-methyl-1-pentanol 307.7
    methyl formate 64.46
    2-methyl-1-butanol 350.22
    n-decane 18.22
    butyronitrile 370.68
    3,7-dimethyl-1-octanol 156.3
    1-chlorooctane 90.56
    1-chlorotetradecane 34.72
    n-nonane 16.53
    undecane 12.71
    tert-butylcyclohexane 46.02
    cyclooctane 28.55
    cyclopentanol 234.85
    tetrahydropyran 1255.44
    tert-amyl methyl ether 425.31
    2,5,8-trioxanonane 554.78
    1-hexene 246.85
    2-isopropoxyethanol 370.86
    2,2,2-trifluoroethanol 48.87
    methyl butyrate 347.54

    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