3-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C12H16O2

    SMILES
    CC(=C)C1C(CC=CC1=C)OC(=O)C

  • Odor profile

    Fruity 55.84%
    Green 54.53%
    Mint 45.18%
    Woody 41.22%
    Herbal 40.67%
    Spicy 37.42%
    Sweet 36.27%
    Fresh 34.91%
    Floral 25.6%
    Citrus 24.04%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point est.
    112.89 ˚C

  • Synonyms

    • 54832-23-4
    • 5-Methylene-6-isopropenyl-3-cyclohexen-1-ol acetate
    • YJIDJJQLHFCUCZ-UHFFFAOYSA-N
    • 3-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate
    • DB-317746
    • 6-Isopropenyl-5-methylene-3-cyclohexen-1-yl acetate #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 333.59
    methanol 541.12
    isopropanol 261.87
    water 2.31
    ethyl acetate 216.83
    n-propanol 257.04
    acetone 321.84
    n-butanol 262.21
    acetonitrile 284.73
    DMF 677.92
    toluene 170.19
    isobutanol 200.6
    1,4-dioxane 691.84
    methyl acetate 217.6
    THF 974.58
    2-butanone 207.29
    n-pentanol 173.06
    sec-butanol 215.75
    n-hexane 26.64
    ethylene glycol 81.86
    NMP 590.16
    cyclohexane 65.77
    DMSO 408.09
    n-butyl acetate 167.37
    n-octanol 122.64
    chloroform 816.44
    n-propyl acetate 129.18
    acetic acid 300.56
    dichloromethane 781.11
    cyclohexanone 432.69
    propylene glycol 126.09
    isopropyl acetate 130.25
    DMAc 424.15
    2-ethoxyethanol 191.04
    isopentanol 200.13
    n-heptane 25.15
    ethyl formate 206.78
    1,2-dichloroethane 331.45
    n-hexanol 244.65
    2-methoxyethanol 392.32
    isobutyl acetate 94.35
    tetrachloromethane 84.34
    n-pentyl acetate 113.89
    transcutol 655.41
    n-heptanol 96.22
    ethylbenzene 88.04
    MIBK 137.12
    2-propoxyethanol 338.24
    tert-butanol 311.57
    MTBE 174.83
    2-butoxyethanol 148.67
    propionic acid 202.2
    o-xylene 105.27
    formic acid 129.86
    diethyl ether 208.57
    m-xylene 132.97
    p-xylene 105.14
    chlorobenzene 228.03
    dimethyl carbonate 120.91
    n-octane 9.86
    formamide 155.23
    cyclopentanone 470.17
    2-pentanone 213.14
    anisole 186.9
    cyclopentyl methyl ether 335.53
    gamma-butyrolactone 573.58
    1-methoxy-2-propanol 298.95
    pyridine 345.34
    3-pentanone 149.25
    furfural 456.68
    n-dodecane 11.37
    diethylene glycol 262.68
    diisopropyl ether 63.51
    tert-amyl alcohol 211.55
    acetylacetone 224.1
    n-hexadecane 12.98
    acetophenone 161.63
    methyl propionate 187.38
    isopentyl acetate 142.42
    trichloroethylene 598.03
    n-nonanol 104.75
    cyclohexanol 292.55
    benzyl alcohol 176.07
    2-ethylhexanol 122.12
    isooctanol 77.09
    dipropyl ether 127.66
    1,2-dichlorobenzene 194.55
    ethyl lactate 92.76
    propylene carbonate 327.51
    n-methylformamide 276.63
    2-pentanol 161.35
    n-pentane 31.03
    1-propoxy-2-propanol 208.88
    1-methoxy-2-propyl acetate 191.3
    2-(2-methoxypropoxy) propanol 192.72
    mesitylene 79.75
    ε-caprolactone 351.07
    p-cymene 66.58
    epichlorohydrin 564.46
    1,1,1-trichloroethane 279.04
    2-aminoethanol 161.63
    morpholine-4-carbaldehyde 550.08
    sulfolane 518.22
    2,2,4-trimethylpentane 17.16
    2-methyltetrahydrofuran 515.24
    n-hexyl acetate 194.78
    isooctane 13.36
    2-(2-butoxyethoxy)ethanol 248.22
    sec-butyl acetate 88.74
    tert-butyl acetate 142.19
    decalin 29.91
    glycerin 157.39
    diglyme 387.23
    acrylic acid 175.97
    isopropyl myristate 81.75
    n-butyric acid 265.95
    acetyl acetate 166.64
    di(2-ethylhexyl) phthalate 99.81
    ethyl propionate 132.02
    nitromethane 413.23
    1,2-diethoxyethane 199.75
    benzonitrile 223.06
    trioctyl phosphate 72.18
    1-bromopropane 211.32
    gamma-valerolactone 571.56
    n-decanol 80.4
    triethyl phosphate 80.44
    4-methyl-2-pentanol 92.54
    propionitrile 208.16
    vinylene carbonate 313.51
    1,1,2-trichlorotrifluoroethane 304.18
    DMS 168.74
    cumene 64.81
    2-octanol 73.89
    2-hexanone 143.62
    octyl acetate 108.46
    limonene 98.83
    1,2-dimethoxyethane 373.59
    ethyl orthosilicate 75.57
    tributyl phosphate 85.17
    diacetone alcohol 183.44
    N,N-dimethylaniline 135.78
    acrylonitrile 239.22
    aniline 207.57
    1,3-propanediol 217.13
    bromobenzene 216.95
    dibromomethane 466.62
    1,1,2,2-tetrachloroethane 442.97
    2-methyl-cyclohexyl acetate 135.46
    tetrabutyl urea 114.6
    diisobutyl methanol 66.73
    2-phenylethanol 183.23
    styrene 106.0
    dioctyl adipate 127.12
    dimethyl sulfate 170.19
    ethyl butyrate 130.33
    methyl lactate 124.33
    butyl lactate 111.35
    diethyl carbonate 105.8
    propanediol butyl ether 180.94
    triethyl orthoformate 98.66
    p-tert-butyltoluene 63.04
    methyl 4-tert-butylbenzoate 165.23
    morpholine 679.28
    tert-butylamine 183.95
    n-dodecanol 63.15
    dimethoxymethane 385.74
    ethylene carbonate 250.64
    cyrene 203.22
    2-ethoxyethyl acetate 156.43
    2-ethylhexyl acetate 115.89
    1,2,4-trichlorobenzene 226.79
    4-methylpyridine 355.09
    dibutyl ether 110.54
    2,6-dimethyl-4-heptanol 66.73
    DEF 251.75
    dimethyl isosorbide 328.86
    tetrachloroethylene 260.86
    eugenol 162.13
    triacetin 179.83
    span 80 180.3
    1,4-butanediol 101.24
    1,1-dichloroethane 331.49
    2-methyl-1-pentanol 154.31
    methyl formate 261.76
    2-methyl-1-butanol 197.94
    n-decane 16.96
    butyronitrile 261.57
    3,7-dimethyl-1-octanol 116.25
    1-chlorooctane 73.03
    1-chlorotetradecane 34.15
    n-nonane 15.94
    undecane 13.68
    tert-butylcyclohexane 25.53
    cyclooctane 17.99
    cyclopentanol 300.83
    tetrahydropyran 534.94
    tert-amyl methyl ether 136.14
    2,5,8-trioxanonane 297.09
    1-hexene 91.87
    2-isopropoxyethanol 134.94
    2,2,2-trifluoroethanol 105.72
    methyl butyrate 171.24

    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

Botanical

Name CAS Botanical Proportion
Baccharis genistelloides Baccharis genistelloides Pers. (Carqueja), fam. Asteraceae (Compositae) 42.82%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 2.1%