alpha,alpha,4-Trimethyl-3-(1-methylvinyl)-4-vinylcyclohexylmethyl acetate

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  • Identifiers

    CAS number
    84434-64-0

    Molecular formula
    C17H28O2

    SMILES
    CC(C)C(=O)OCC1CCC(C(C1)C(=C)C)(C)C=C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 72.37%
    Sweet 69.44%
    Woody 56.87%
    Floral 51.95%
    Green 46.89%
    Herbal 44.5%
    Citrus 43.93%
    Spicy 40.24%
    Rose 39.48%
    Fresh 39.42%

     

    Flavor
    Woody 49.74%
    Floral 40.75%
    Herbal 40.05%
    Fruity 39.5%
    Tropical 35.64%
    Green 35.27%
    Sweet 33.98%
    Bergamot 27.67%
    Herb 27.2%
    Fresh 25.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.08 (neutral)

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 127.26 ˚C est.

  • Synonyms

    • alpha,alpha,4-Trimethyl-3-(1-methylvinyl)-4-vinylcyclohexylmethyl acetate
    • EINECS 282-865-6
    • Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, acetate
    • RefChem:111003
    • 282-865-6
    • 84434-64-0
    • DTXSID10868815
    • LYEIFZKPMGPSDV-UHFFFAOYSA-N
    • [4-Ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]methyl 2-methylpropanoate
    • 84434-64-0

  • Applications

    alpha,alpha,4-Trimethyl-3-(1-methylvinyl)-4-vinylcyclohexylmethyl acetate (CAS 84434-64-0) is commonly used as a fragrance ingredient and fixative in perfumery, and it also appears as a fragrance component in cosmetics and personal care products; it may be evaluated for use in household products and cleaners to impart a recognizable scent; it can serve as a fragrance additive in coatings and inks; and it may function as an intermediate in chemical synthesis for industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3196.88
    methanol 2161.99
    isopropanol 3556.15
    water 0.48
    ethyl acetate 3463.1
    n-propanol 2571.7
    acetone 2609.54
    n-butanol 2109.37
    acetonitrile 1660.3
    DMF 2324.51
    toluene 1294.07
    isobutanol 1967.33
    1,4-dioxane 3274.9
    methyl acetate 1838.2
    THF 4841.34
    2-butanone 2031.43
    n-pentanol 1111.13
    sec-butanol 2128.19
    n-hexane 118.03
    ethylene glycol 122.64
    NMP 1037.21
    cyclohexane 223.64
    DMSO 998.49
    n-butyl acetate 1743.05
    n-octanol 537.55
    chloroform 3719.15
    n-propyl acetate 1350.26
    acetic acid 1014.59
    dichloromethane 3246.95
    cyclohexanone 2047.58
    propylene glycol 334.43
    isopropyl acetate 2608.63
    DMAc 1493.51
    2-ethoxyethanol 1427.3
    isopentanol 1890.91
    n-heptane 59.73
    ethyl formate 1132.4
    1,2-dichloroethane 2135.21
    n-hexanol 1423.76
    2-methoxyethanol 2262.58
    isobutyl acetate 972.49
    tetrachloromethane 567.6
    n-pentyl acetate 979.39
    transcutol 4646.45
    n-heptanol 583.88
    ethylbenzene 565.36
    MIBK 1477.08
    2-propoxyethanol 2032.53
    tert-butanol 3524.67
    MTBE 4415.73
    2-butoxyethanol 1008.33
    propionic acid 822.51
    o-xylene 701.03
    formic acid 231.0
    diethyl ether 3358.29
    m-xylene 995.38
    p-xylene 686.89
    chlorobenzene 1157.37
    dimethyl carbonate 592.6
    n-octane 40.2
    formamide 421.03
    cyclopentanone 2168.92
    2-pentanone 2218.95
    anisole 1102.63
    cyclopentyl methyl ether 2145.55
    gamma-butyrolactone 2083.35
    1-methoxy-2-propanol 2436.11
    pyridine 1748.87
    3-pentanone 1273.41
    furfural 1407.65
    n-dodecane 30.18
    diethylene glycol 942.18
    diisopropyl ether 1033.54
    tert-amyl alcohol 2319.88
    acetylacetone 2012.97
    n-hexadecane 36.11
    acetophenone 775.24
    methyl propionate 1641.52
    isopentyl acetate 1748.38
    trichloroethylene 3295.02
    n-nonanol 449.07
    cyclohexanol 1357.42
    benzyl alcohol 731.77
    2-ethylhexanol 645.68
    isooctanol 528.74
    dipropyl ether 876.78
    1,2-dichlorobenzene 954.53
    ethyl lactate 405.83
    propylene carbonate 1192.49
    n-methylformamide 970.45
    2-pentanol 1693.13
    n-pentane 146.51
    1-propoxy-2-propanol 1561.68
    1-methoxy-2-propyl acetate 1683.92
    2-(2-methoxypropoxy) propanol 785.03
    mesitylene 571.44
    ε-caprolactone 1800.01
    p-cymene 317.15
    epichlorohydrin 3140.78
    1,1,1-trichloroethane 2278.3
    2-aminoethanol 536.01
    morpholine-4-carbaldehyde 1731.12
    sulfolane 1424.09
    2,2,4-trimethylpentane 110.21
    2-methyltetrahydrofuran 3209.83
    n-hexyl acetate 1233.7
    isooctane 111.67
    2-(2-butoxyethoxy)ethanol 1237.36
    sec-butyl acetate 1134.65
    tert-butyl acetate 2297.3
    decalin 119.0
    glycerin 331.77
    diglyme 2086.53
    acrylic acid 460.38
    isopropyl myristate 403.21
    n-butyric acid 1942.63
    acetyl acetate 1415.09
    di(2-ethylhexyl) phthalate 324.45
    ethyl propionate 1100.6
    nitromethane 1561.08
    1,2-diethoxyethane 1949.72
    benzonitrile 908.81
    trioctyl phosphate 238.4
    1-bromopropane 1530.27
    gamma-valerolactone 2605.2
    n-decanol 300.6
    triethyl phosphate 298.16
    4-methyl-2-pentanol 979.05
    propionitrile 1441.15
    vinylene carbonate 989.7
    1,1,2-trichlorotrifluoroethane 1091.57
    DMS 783.86
    cumene 383.8
    2-octanol 469.22
    2-hexanone 1050.97
    octyl acetate 501.07
    limonene 463.78
    1,2-dimethoxyethane 2094.78
    ethyl orthosilicate 327.56
    tributyl phosphate 301.43
    diacetone alcohol 1606.48
    N,N-dimethylaniline 609.53
    acrylonitrile 1155.0
    aniline 1150.16
    1,3-propanediol 1205.35
    bromobenzene 1273.46
    dibromomethane 2149.38
    1,1,2,2-tetrachloroethane 2522.68
    2-methyl-cyclohexyl acetate 650.16
    tetrabutyl urea 336.75
    diisobutyl methanol 418.82
    2-phenylethanol 863.61
    styrene 667.27
    dioctyl adipate 477.21
    dimethyl sulfate 591.97
    ethyl butyrate 1002.49
    methyl lactate 517.09
    butyl lactate 620.43
    diethyl carbonate 530.34
    propanediol butyl ether 877.82
    triethyl orthoformate 582.39
    p-tert-butyltoluene 330.43
    methyl 4-tert-butylbenzoate 720.42
    morpholine 3804.32
    tert-butylamine 2238.68
    n-dodecanol 216.6
    dimethoxymethane 2360.05
    ethylene carbonate 977.22
    cyrene 533.15
    2-ethoxyethyl acetate 1297.4
    2-ethylhexyl acetate 1116.98
    1,2,4-trichlorobenzene 1017.57
    4-methylpyridine 2086.08
    dibutyl ether 757.08
    2,6-dimethyl-4-heptanol 418.82
    DEF 1685.3
    dimethyl isosorbide 1229.59
    tetrachloroethylene 1513.22
    eugenol 619.58
    triacetin 809.89
    span 80 638.64
    1,4-butanediol 408.19
    1,1-dichloroethane 2838.3
    2-methyl-1-pentanol 1020.1
    methyl formate 718.74
    2-methyl-1-butanol 1538.6
    n-decane 59.39
    butyronitrile 1822.58
    3,7-dimethyl-1-octanol 630.69
    1-chlorooctane 360.57
    1-chlorotetradecane 117.02
    n-nonane 56.77
    undecane 40.54
    tert-butylcyclohexane 129.2
    cyclooctane 69.23
    cyclopentanol 1281.08
    tetrahydropyran 3528.32
    tert-amyl methyl ether 1940.43
    2,5,8-trioxanonane 1133.88
    1-hexene 580.47
    2-isopropoxyethanol 1144.84
    2,2,2-trifluoroethanol 323.34
    methyl butyrate 1345.71

    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