2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene

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  • Identifiers

    CAS number
    65416-26-4

    Molecular formula
    C15H26O

    SMILES
    CCOC(C)C=CC1=C(CCCC1(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 81.67%
    Woody 79.63%
    Floral 74.81%
    Berry 61.88%
    Raspberry 49.44%
    Sweet 47.7%
    Powdery 45.61%
    Violet 45.21%
    Tropical 43.77%
    Orris 39.92%

     

    Flavor
    Floral 68.04%
    Woody 64.11%
    Herbal 46.09%
    Tropical 43.96%
    Sweet 42.37%
    Wood 37.92%
    Citrus 34.79%
    Fruity 32.07%
    Spicy 30.49%
    Violet 29.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.7 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 101.73 ˚C est.

  • Synonyms

    • 65416-26-4
    • RefChem:251514
    • 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene
    • SCHEMBL11044897
    • BLSRPKXPUSFJDP-UHFFFAOYSA-N
    • NS00056591
    • 2-(3-ethoxybut-1-en-1-yl)-1,3,3-trimethylcyclohex-1-ene
    • 65416-26-4

  • Applications

    2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene (CAS 65416-26-4) is mainly employed as a fragrance ingredient and aroma-chemical intermediate in perfumery, providing a building block for complex scent formulations and contributing to the odor profile of cosmetics and personal care products. It is often evaluated for use in household products such as air fresheners and cleaners as a fragrance component. In industrial manufacturing, it can serve as a specialty chemical intermediate for the synthesis of related aroma compounds and as a precursor in polymers, coatings, and inks formulations. The material may function as a reactive intermediate in formulation development, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1343.79
    methanol 844.71
    isopropanol 998.05
    water 0.35
    ethyl acetate 2215.34
    n-propanol 1258.5
    acetone 1335.42
    n-butanol 1494.78
    acetonitrile 864.75
    DMF 935.17
    toluene 1887.91
    isobutanol 958.54
    1,4-dioxane 3448.03
    methyl acetate 1275.33
    THF 3574.43
    2-butanone 1404.88
    n-pentanol 773.72
    sec-butanol 998.22
    n-hexane 708.85
    ethylene glycol 83.03
    NMP 1245.68
    cyclohexane 1558.05
    DMSO 660.33
    n-butyl acetate 2291.13
    n-octanol 587.58
    chloroform 3942.94
    n-propyl acetate 1017.33
    acetic acid 668.77
    dichloromethane 3475.63
    cyclohexanone 2394.78
    propylene glycol 160.86
    isopropyl acetate 1523.16
    DMAc 1080.71
    2-ethoxyethanol 701.76
    isopentanol 1273.07
    n-heptane 636.67
    ethyl formate 714.32
    1,2-dichloroethane 2265.84
    n-hexanol 1881.25
    2-methoxyethanol 1101.63
    isobutyl acetate 751.45
    tetrachloromethane 935.19
    n-pentyl acetate 1009.43
    transcutol 3941.08
    n-heptanol 595.91
    ethylbenzene 667.02
    MIBK 941.32
    2-propoxyethanol 1802.51
    tert-butanol 1218.91
    MTBE 2428.28
    2-butoxyethanol 757.81
    propionic acid 597.73
    o-xylene 858.52
    formic acid 141.11
    diethyl ether 3486.55
    m-xylene 1104.21
    p-xylene 777.84
    chlorobenzene 1625.91
    dimethyl carbonate 416.87
    n-octane 164.28
    formamide 203.97
    cyclopentanone 1724.45
    2-pentanone 1588.82
    anisole 906.47
    cyclopentyl methyl ether 2609.6
    gamma-butyrolactone 1581.27
    1-methoxy-2-propanol 947.44
    pyridine 1890.04
    3-pentanone 1345.43
    furfural 1134.51
    n-dodecane 97.77
    diethylene glycol 628.9
    diisopropyl ether 1168.77
    tert-amyl alcohol 1131.62
    acetylacetone 1246.9
    n-hexadecane 117.42
    acetophenone 660.69
    methyl propionate 1310.1
    isopentyl acetate 1893.76
    trichloroethylene 3521.31
    n-nonanol 536.32
    cyclohexanol 1719.63
    benzyl alcohol 539.93
    2-ethylhexanol 1166.69
    isooctanol 478.09
    dipropyl ether 1973.43
    1,2-dichlorobenzene 1204.53
    ethyl lactate 271.73
    propylene carbonate 1041.76
    n-methylformamide 400.31
    2-pentanol 1086.41
    n-pentane 730.21
    1-propoxy-2-propanol 1387.99
    1-methoxy-2-propyl acetate 1717.76
    2-(2-methoxypropoxy) propanol 775.64
    mesitylene 683.88
    ε-caprolactone 2080.31
    p-cymene 547.96
    epichlorohydrin 2192.64
    1,1,1-trichloroethane 2432.89
    2-aminoethanol 270.08
    morpholine-4-carbaldehyde 1510.11
    sulfolane 1386.26
    2,2,4-trimethylpentane 291.27
    2-methyltetrahydrofuran 3609.63
    n-hexyl acetate 1431.54
    isooctane 220.53
    2-(2-butoxyethoxy)ethanol 1101.13
    sec-butyl acetate 833.06
    tert-butyl acetate 1531.52
    decalin 422.37
    glycerin 188.17
    diglyme 1825.66
    acrylic acid 368.55
    isopropyl myristate 538.04
    n-butyric acid 1294.24
    acetyl acetate 1159.66
    di(2-ethylhexyl) phthalate 396.23
    ethyl propionate 959.51
    nitromethane 890.88
    1,2-diethoxyethane 2320.34
    benzonitrile 848.84
    trioctyl phosphate 298.74
    1-bromopropane 2088.11
    gamma-valerolactone 2061.07
    n-decanol 385.67
    triethyl phosphate 441.32
    4-methyl-2-pentanol 612.35
    propionitrile 932.74
    vinylene carbonate 907.97
    1,1,2-trichlorotrifluoroethane 1041.18
    DMS 847.51
    cumene 439.98
    2-octanol 412.4
    2-hexanone 891.44
    octyl acetate 641.11
    limonene 1013.88
    1,2-dimethoxyethane 1395.73
    ethyl orthosilicate 503.22
    tributyl phosphate 413.3
    diacetone alcohol 915.42
    N,N-dimethylaniline 596.99
    acrylonitrile 695.75
    aniline 1233.56
    1,3-propanediol 542.84
    bromobenzene 1989.76
    dibromomethane 2618.84
    1,1,2,2-tetrachloroethane 2762.96
    2-methyl-cyclohexyl acetate 908.64
    tetrabutyl urea 460.11
    diisobutyl methanol 521.2
    2-phenylethanol 869.43
    styrene 802.78
    dioctyl adipate 639.3
    dimethyl sulfate 447.23
    ethyl butyrate 1302.74
    methyl lactate 300.94
    butyl lactate 516.77
    diethyl carbonate 720.76
    propanediol butyl ether 503.58
    triethyl orthoformate 895.99
    p-tert-butyltoluene 538.63
    methyl 4-tert-butylbenzoate 670.76
    morpholine 3388.71
    tert-butylamine 1140.21
    n-dodecanol 290.18
    dimethoxymethane 1374.25
    ethylene carbonate 912.9
    cyrene 485.39
    2-ethoxyethyl acetate 1296.44
    2-ethylhexyl acetate 1660.29
    1,2,4-trichlorobenzene 1353.25
    4-methylpyridine 2076.04
    dibutyl ether 1186.33
    2,6-dimethyl-4-heptanol 521.2
    DEF 1503.48
    dimethyl isosorbide 1298.06
    tetrachloroethylene 1964.16
    eugenol 521.07
    triacetin 887.28
    span 80 701.81
    1,4-butanediol 160.11
    1,1-dichloroethane 2248.77
    2-methyl-1-pentanol 777.3
    methyl formate 318.3
    2-methyl-1-butanol 1234.33
    n-decane 196.73
    butyronitrile 1265.01
    3,7-dimethyl-1-octanol 635.99
    1-chlorooctane 667.62
    1-chlorotetradecane 239.64
    n-nonane 211.93
    undecane 130.63
    tert-butylcyclohexane 367.56
    cyclooctane 594.65
    cyclopentanol 1014.66
    tetrahydropyran 4881.67
    tert-amyl methyl ether 1673.82
    2,5,8-trioxanonane 1182.89
    1-hexene 1224.66
    2-isopropoxyethanol 615.09
    2,2,2-trifluoroethanol 194.23
    methyl butyrate 1076.74

    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