4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone

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  • Identifiers

    CAS number
    36306-87-3

    Molecular formula
    C14H24O2

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 77.73%
    Herbal 62.62%
    Camphoreous 52.21%
    Tobacco 46.41%
    Mint 43.87%
    Spicy 42.72%
    Pine 41.8%
    Fruity 40.43%
    Cedar 39.61%
    Dry 36.39%

     

    Flavor
    Fruity 56.79%
    Sweet 54.3%
    Woody 53.94%
    Herbal 45.76%
    Green 40.79%
    Camphor 37.76%
    Tobacco 33.14%
    Tropical 30.86%
    Lavender 30.47%
    Fruit 30.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.53 (neutral)

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    284°C

    Flash point

    • 115.64 ˚C est.

  • Synonyms

    • Kephalis
    • 36306-87-3
    • 4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone
    • Kephalor
    • 4-(1-Ethoxyethenyl)-3,3,5,5-tetramethylcyclohexanone
    • 3,3,5,5-Tetramethyl-4-(1-ethoxyvinyl)cyclohexanone
    • EINECS 252-961-2
    • Cyclohexanone, 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl-
    • 3,3,5,5-Tetramethyl-4-ethoxyvinylcyclohexanone
    • BRN 2258311
    • A27U1GP15P
    • 3,3,5,5-etramethyl-4-ethoxyvinylcyclohexanone
    • 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
    • UNII-A27U1GP15P
    • 3,3,5,5-Tetramethyl-4-(1-ethoxyvinyl)-1-cyclohexanone
    • DTXSID6052039
    • LRG-1182
    • 4-(1-ETHOXYVINYL)-3,3,5,5-TETRAMETHYLCYCLOHEXAN-1-ONE
    • SCHEMBL273630
    • CHEMBL3727737
    • DTXCID1030606
    • YLNYLLVKHRZLGO-UHFFFAOYSA-N
    • NS00012779
    • A823795
    • 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl-1-cyclohexanone
    • 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl-cyclohexan-1-one
    • 252-961-2

  • Applications

    4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone (CAS 36306-87-3) is primarily used as an intermediate in fragrance chemistry, providing a building block for aroma compounds and perfumery ingredients; it also serves as a precursor for cosmetics and personal care formulations, enabling downstream synthesis of fragrance systems and functional cosmetic ingredients; in industrial manufacturing it functions as a specialty monomer or reactive intermediate in polymers and coatings, contributing to performance in niche polymer and coating applications; and it may be employed as a processing aid or co-solvent in selected formulations under appropriate safety and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1074.51
    methanol 1485.92
    isopropanol 990.39
    water 12.43
    ethyl acetate 1520.35
    n-propanol 1078.94
    acetone 1614.87
    n-butanol 921.59
    acetonitrile 1647.76
    DMF 1787.53
    toluene 1785.68
    isobutanol 932.23
    1,4-dioxane 2153.33
    methyl acetate 1465.48
    THF 4200.89
    2-butanone 1252.33
    n-pentanol 607.08
    sec-butanol 956.53
    n-hexane 458.17
    ethylene glycol 255.08
    NMP 2708.26
    cyclohexane 1115.01
    DMSO 841.04
    n-butyl acetate 1051.73
    n-octanol 564.45
    chloroform 5107.18
    n-propyl acetate 795.37
    acetic acid 1786.28
    dichloromethane 3598.2
    cyclohexanone 2938.95
    propylene glycol 389.57
    isopropyl acetate 954.4
    DMAc 1454.25
    2-ethoxyethanol 489.91
    isopentanol 733.82
    n-heptane 442.56
    ethyl formate 1116.58
    1,2-dichloroethane 1814.25
    n-hexanol 1289.58
    2-methoxyethanol 949.9
    isobutyl acetate 556.78
    tetrachloromethane 1183.39
    n-pentyl acetate 732.18
    transcutol 1035.8
    n-heptanol 496.45
    ethylbenzene 713.22
    MIBK 774.03
    2-propoxyethanol 1095.53
    tert-butanol 1092.14
    MTBE 1035.62
    2-butoxyethanol 482.47
    propionic acid 1261.44
    o-xylene 970.48
    formic acid 657.95
    diethyl ether 1175.85
    m-xylene 1219.92
    p-xylene 956.75
    chlorobenzene 1851.5
    dimethyl carbonate 662.58
    n-octane 140.28
    formamide 556.87
    cyclopentanone 2925.94
    2-pentanone 1229.6
    anisole 786.59
    cyclopentyl methyl ether 2378.99
    gamma-butyrolactone 3581.14
    1-methoxy-2-propanol 814.67
    pyridine 2159.74
    3-pentanone 1019.08
    furfural 2074.43
    n-dodecane 85.27
    diethylene glycol 596.52
    diisopropyl ether 495.68
    tert-amyl alcohol 942.67
    acetylacetone 1272.41
    n-hexadecane 100.24
    acetophenone 735.27
    methyl propionate 1282.9
    isopentyl acetate 836.49
    trichloroethylene 3771.43
    n-nonanol 450.16
    cyclohexanol 1870.74
    benzyl alcohol 729.74
    2-ethylhexanol 719.43
    isooctanol 371.16
    dipropyl ether 750.53
    1,2-dichlorobenzene 1357.04
    ethyl lactate 372.17
    propylene carbonate 1989.21
    n-methylformamide 1185.3
    2-pentanol 768.67
    n-pentane 483.31
    1-propoxy-2-propanol 756.04
    1-methoxy-2-propyl acetate 946.6
    2-(2-methoxypropoxy) propanol 423.41
    mesitylene 751.63
    ε-caprolactone 2370.2
    p-cymene 472.93
    epichlorohydrin 2695.0
    1,1,1-trichloroethane 2632.44
    2-aminoethanol 455.0
    morpholine-4-carbaldehyde 1651.72
    sulfolane 2402.37
    2,2,4-trimethylpentane 197.19
    2-methyltetrahydrofuran 3041.1
    n-hexyl acetate 1154.11
    isooctane 145.42
    2-(2-butoxyethoxy)ethanol 503.54
    sec-butyl acetate 556.12
    tert-butyl acetate 888.93
    decalin 346.52
    glycerin 427.87
    diglyme 893.17
    acrylic acid 1111.11
    isopropyl myristate 340.85
    n-butyric acid 1571.56
    acetyl acetate 1174.32
    di(2-ethylhexyl) phthalate 329.91
    ethyl propionate 767.25
    nitromethane 2152.93
    1,2-diethoxyethane 558.65
    benzonitrile 1209.25
    trioctyl phosphate 262.62
    1-bromopropane 1463.68
    gamma-valerolactone 2727.13
    n-decanol 310.45
    triethyl phosphate 344.13
    4-methyl-2-pentanol 448.28
    propionitrile 1219.4
    vinylene carbonate 1828.41
    1,1,2-trichlorotrifluoroethane 1499.12
    DMS 868.3
    cumene 464.01
    2-octanol 441.03
    2-hexanone 759.12
    octyl acetate 461.55
    limonene 748.32
    1,2-dimethoxyethane 919.49
    ethyl orthosilicate 325.01
    tributyl phosphate 311.7
    diacetone alcohol 716.65
    N,N-dimethylaniline 533.3
    acrylonitrile 1387.41
    aniline 1311.33
    1,3-propanediol 601.1
    bromobenzene 1960.75
    dibromomethane 2678.09
    1,1,2,2-tetrachloroethane 2840.4
    2-methyl-cyclohexyl acetate 604.95
    tetrabutyl urea 368.42
    diisobutyl methanol 319.01
    2-phenylethanol 825.8
    styrene 802.2
    dioctyl adipate 446.58
    dimethyl sulfate 854.47
    ethyl butyrate 670.85
    methyl lactate 540.48
    butyl lactate 515.31
    diethyl carbonate 479.61
    propanediol butyl ether 492.28
    triethyl orthoformate 464.0
    p-tert-butyltoluene 467.1
    methyl 4-tert-butylbenzoate 663.9
    morpholine 2340.77
    tert-butylamine 886.68
    n-dodecanol 223.43
    dimethoxymethane 1218.83
    ethylene carbonate 1602.42
    cyrene 554.29
    2-ethoxyethyl acetate 730.87
    2-ethylhexyl acetate 757.2
    1,2,4-trichlorobenzene 1474.82
    4-methylpyridine 2448.86
    dibutyl ether 527.34
    2,6-dimethyl-4-heptanol 319.01
    DEF 1171.7
    dimethyl isosorbide 905.67
    tetrachloroethylene 2051.45
    eugenol 502.2
    triacetin 786.54
    span 80 494.81
    1,4-butanediol 256.28
    1,1-dichloroethane 2331.32
    2-methyl-1-pentanol 510.01
    methyl formate 1222.69
    2-methyl-1-butanol 794.9
    n-decane 173.63
    butyronitrile 1304.97
    3,7-dimethyl-1-octanol 458.23
    1-chlorooctane 535.31
    1-chlorotetradecane 174.65
    n-nonane 196.59
    undecane 117.75
    tert-butylcyclohexane 271.93
    cyclooctane 418.9
    cyclopentanol 1841.18
    tetrahydropyran 3030.54
    tert-amyl methyl ether 853.24
    2,5,8-trioxanonane 596.98
    1-hexene 832.63
    2-isopropoxyethanol 387.16
    2,2,2-trifluoroethanol 734.89
    methyl butyrate 979.21

    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