3-(4-Methylcyclohex-3-enyl)but-3-enyl acetate

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  • Identifiers

    CAS number
    6819-19-8

    Molecular formula
    C13H20O2

    SMILES
    CC1=CCC(CC1)C(=C)CCOC(=O)C

  • Odor profile

    Fragrance
    Fruity 82.31%
    Floral 80.57%
    Sweet 72.02%
    Woody 60.39%
    Green 53.54%
    Rose 50.17%
    Fresh 45.73%
    Herbal 44.42%
    Spicy 41.84%
    Citrus 38.13%

     

    Flavor
    Fruity 59.97%
    Sweet 49.35%
    Floral 47.42%
    Tropical 38.2%
    Spicy 33.53%
    Herbal 33.46%
    Raspberry 31.25%
    Woody 31.1%
    Rose 30.61%
    Fresh 29.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.03 (weak base)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    274°C

    Flash point

    • 118.19 ˚C est.

  • Synonyms

    • 3-(4-Methylcyclohex-3-enyl)but-3-enyl acetate
    • 6819-19-8
    • 3-(4-methylcyclohex-3-en-1-yl)but-3-enyl acetate
    • K02O7H2FP4
    • 3-(4-Methyl-3-cyclohexen-1-yl)-3-butenyl acetate
    • 3-Cyclohexene-1-propanol, 4-methyl-gamma-methylene-, 1-acetate
    • EINECS 229-894-2
    • UNII-K02O7H2FP4
    • SCHEMBL1774318
    • DTXSID1052400
    • IVIORUOCIAMOLJ-UHFFFAOYSA-N
    • 3-Cyclohexene-1-propanol, 4-methyl-gamma-methylene-, acetate
    • 3-Cyclohexene-1-propanol, 4-methyl-.gamma.-methylene-, acetate
    • DB-251844
    • NS00012867
    • Q27281761
    • 3-Cyclohexene-1-propanol, 4-methyl-.gamma.-methylene-, 1-acetate
    • 3-(4-METHYL-3-CYCLOHEXEN-1-YL)-3-BUTENYL ACETATE, (+/-)-

  • Applications

    3-(4-Methylcyclohex-3-enyl)but-3-enyl acetate (CAS 6819-19-8) is a terpene-like allyl acetate commonly used as a fragrance ingredient and fixative in perfumery. It can be employed in cosmetics and personal care products to impart woody-green notes; in household products such as air fresheners and cleaners to provide a lasting scent; as an intermediate in the synthesis of related fragrance compounds; and may be evaluated for use in flavor formulations where permitted by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3609.66
    methanol 3261.44
    isopropanol 2766.55
    water 0.67
    ethyl acetate 2252.44
    n-propanol 2452.96
    acetone 2079.19
    n-butanol 1867.93
    acetonitrile 1492.78
    DMF 1725.6
    toluene 765.16
    isobutanol 1384.44
    1,4-dioxane 4648.43
    methyl acetate 1424.28
    THF 3537.2
    2-butanone 1585.47
    n-pentanol 950.85
    sec-butanol 1681.1
    n-hexane 34.22
    ethylene glycol 270.61
    NMP 807.62
    cyclohexane 89.76
    DMSO 1776.29
    n-butyl acetate 686.18
    n-octanol 151.91
    chloroform 3193.69
    n-propyl acetate 619.21
    acetic acid 1156.07
    dichloromethane 2379.84
    cyclohexanone 1419.8
    propylene glycol 723.05
    isopropyl acetate 1158.56
    DMAc 1419.7
    2-ethoxyethanol 1748.7
    isopentanol 1239.53
    n-heptane 14.46
    ethyl formate 697.63
    1,2-dichloroethane 1455.09
    n-hexanol 679.39
    2-methoxyethanol 3209.56
    isobutyl acetate 355.13
    tetrachloromethane 232.06
    n-pentyl acetate 271.19
    transcutol 6054.72
    n-heptanol 169.98
    ethylbenzene 230.0
    MIBK 640.32
    2-propoxyethanol 1483.58
    tert-butanol 2470.55
    MTBE 1811.77
    2-butoxyethanol 486.11
    propionic acid 889.26
    o-xylene 290.11
    formic acid 421.48
    diethyl ether 2251.05
    m-xylene 391.12
    p-xylene 249.44
    chlorobenzene 648.79
    dimethyl carbonate 368.86
    n-octane 5.31
    formamide 876.01
    cyclopentanone 1333.53
    2-pentanone 1217.88
    anisole 734.37
    cyclopentyl methyl ether 1272.66
    gamma-butyrolactone 1339.64
    1-methoxy-2-propanol 2309.64
    pyridine 1921.16
    3-pentanone 755.81
    furfural 1157.76
    n-dodecane 5.07
    diethylene glycol 1030.04
    diisopropyl ether 330.27
    tert-amyl alcohol 1397.07
    acetylacetone 1313.25
    n-hexadecane 6.23
    acetophenone 462.73
    methyl propionate 1119.07
    isopentyl acetate 624.67
    trichloroethylene 2635.74
    n-nonanol 138.34
    cyclohexanol 1107.47
    benzyl alcohol 593.5
    2-ethylhexanol 251.61
    isooctanol 131.94
    dipropyl ether 369.75
    1,2-dichlorobenzene 481.67
    ethyl lactate 259.27
    propylene carbonate 667.48
    n-methylformamide 1076.55
    2-pentanol 1017.71
    n-pentane 41.75
    1-propoxy-2-propanol 882.58
    1-methoxy-2-propyl acetate 1050.8
    2-(2-methoxypropoxy) propanol 625.04
    mesitylene 176.92
    ε-caprolactone 1189.07
    p-cymene 92.07
    epichlorohydrin 2443.09
    1,1,1-trichloroethane 1207.24
    2-aminoethanol 1047.92
    morpholine-4-carbaldehyde 1726.49
    sulfolane 1011.48
    2,2,4-trimethylpentane 24.77
    2-methyltetrahydrofuran 2535.09
    n-hexyl acetate 441.43
    isooctane 21.59
    2-(2-butoxyethoxy)ethanol 1018.99
    sec-butyl acetate 495.1
    tert-butyl acetate 1021.7
    decalin 37.39
    glycerin 695.84
    diglyme 1977.42
    acrylic acid 507.34
    isopropyl myristate 140.76
    n-butyric acid 1446.89
    acetyl acetate 876.65
    di(2-ethylhexyl) phthalate 154.52
    ethyl propionate 578.26
    nitromethane 1731.64
    1,2-diethoxyethane 1546.97
    benzonitrile 623.09
    trioctyl phosphate 87.13
    1-bromopropane 865.95
    gamma-valerolactone 2124.1
    n-decanol 98.64
    triethyl phosphate 172.2
    4-methyl-2-pentanol 396.51
    propionitrile 1059.94
    vinylene carbonate 601.01
    1,1,2-trichlorotrifluoroethane 1212.15
    DMS 431.11
    cumene 129.1
    2-octanol 105.23
    2-hexanone 582.74
    octyl acetate 178.29
    limonene 145.82
    1,2-dimethoxyethane 2244.07
    ethyl orthosilicate 178.0
    tributyl phosphate 145.07
    diacetone alcohol 1027.75
    N,N-dimethylaniline 347.04
    acrylonitrile 1028.41
    aniline 1179.9
    1,3-propanediol 1708.28
    bromobenzene 639.59
    dibromomethane 1423.27
    1,1,2,2-tetrachloroethane 2277.88
    2-methyl-cyclohexyl acetate 291.43
    tetrabutyl urea 164.09
    diisobutyl methanol 139.84
    2-phenylethanol 503.01
    styrene 334.4
    dioctyl adipate 243.11
    dimethyl sulfate 414.35
    ethyl butyrate 444.52
    methyl lactate 449.1
    butyl lactate 255.44
    diethyl carbonate 300.5
    propanediol butyl ether 564.46
    triethyl orthoformate 325.21
    p-tert-butyltoluene 97.13
    methyl 4-tert-butylbenzoate 315.42
    morpholine 5888.61
    tert-butylamine 1254.8
    n-dodecanol 70.46
    dimethoxymethane 1724.49
    ethylene carbonate 583.15
    cyrene 388.55
    2-ethoxyethyl acetate 647.24
    2-ethylhexyl acetate 421.3
    1,2,4-trichlorobenzene 623.18
    4-methylpyridine 1820.84
    dibutyl ether 296.04
    2,6-dimethyl-4-heptanol 139.84
    DEF 1217.67
    dimethyl isosorbide 882.24
    tetrachloroethylene 1186.78
    eugenol 336.84
    triacetin 492.77
    span 80 438.75
    1,4-butanediol 417.88
    1,1-dichloroethane 1685.79
    2-methyl-1-pentanol 638.2
    methyl formate 544.04
    2-methyl-1-butanol 1046.22
    n-decane 9.31
    butyronitrile 1131.15
    3,7-dimethyl-1-octanol 209.21
    1-chlorooctane 72.7
    1-chlorotetradecane 26.52
    n-nonane 8.18
    undecane 6.64
    tert-butylcyclohexane 35.41
    cyclooctane 21.11
    cyclopentanol 966.76
    tetrahydropyran 3534.43
    tert-amyl methyl ether 871.84
    2,5,8-trioxanonane 1256.75
    1-hexene 236.06
    2-isopropoxyethanol 979.44
    2,2,2-trifluoroethanol 250.63
    methyl butyrate 698.77

    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