Cyclohexene, 1-butyl-

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  • Identifiers

    CAS number
    3282-53-9

    Molecular formula
    C10H18

    SMILES
    CCCCC1=CCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Citrus 42.32%
    Sweet 38.6%
    Gassy 32.33%
    Woody 30.54%
    Waxy 28.55%
    Dry 26.43%
    Spicy 22.93%
    Lemon 22.5%
    Fresh 21.52%
    Amber 21.36%

     

    Flavor
    Wood 23.4%
    Alkane 21.9%
    Fruity 21.84%
    Diterpene 21.18%
    Spice 20.78%
    Terpentine 20.77%
    Low 20.69%
    Citric 20.02%
    Shrimp 19.96%
    Alkaline 19.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.79 (weak base)

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point

    • 53.34 ˚C est.

  • Synonyms

    • Cyclohexene, 1-butyl-
    • 1-Butylcyclohexene
    • 1-Butyl-1-cyclohexene
    • 3282-53-9
    • DTXSID60186495
    • RefChem:129659
    • DTXCID70108986
    • INNYVOGDZSDNIP-UHFFFAOYSA-N
    • 1-butyl-cyclohexene
    • 1-BUTYLCYCLOHEX-1-ENE
    • SCHEMBL196176
    • SCHEMBL196177
    • SCHEMBL4333124
    • SCHEMBL4461735
    • SCHEMBL7980460
    • SCHEMBL8118694
    • SCHEMBL9209601
    • 3282-53-9

  • Applications

    Cyclohexene, 1-butyl- (CAS 3282-53-9) is primarily used as an organic synthesis intermediate in specialty chemicals. It serves as a building block for fragrance and flavor precursors and may be evaluated as a starting material for pharmaceutical or agrochemical intermediates under controlled conditions. In materials sectors, it may be used as a cycloalkene-derived building block for polymers and plastics, and as a reactive component or additive in coatings and inks formulations. It may also appear in cosmetic and household product formulations as a fragrance-related intermediate, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1223.61
    methanol 463.72
    isopropanol 1559.22
    water 0.01
    ethyl acetate 3190.02
    n-propanol 1449.44
    acetone 2478.31
    n-butanol 1960.75
    acetonitrile 1576.66
    DMF 968.03
    toluene 3380.28
    isobutanol 1256.91
    1,4-dioxane 4537.22
    methyl acetate 1754.63
    THF 6823.98
    2-butanone 2691.17
    n-pentanol 1266.96
    sec-butanol 1809.3
    n-hexane 3732.04
    ethylene glycol 63.84
    NMP 924.35
    cyclohexane 5306.1
    DMSO 1470.09
    n-butyl acetate 6906.34
    n-octanol 1229.04
    chloroform 5411.12
    n-propyl acetate 2045.12
    acetic acid 528.57
    dichloromethane 4885.58
    cyclohexanone 3650.1
    propylene glycol 175.2
    isopropyl acetate 2195.21
    DMAc 827.96
    2-ethoxyethanol 773.71
    isopentanol 1908.46
    n-heptane 5485.41
    ethyl formate 954.61
    1,2-dichloroethane 3693.88
    n-hexanol 3972.14
    2-methoxyethanol 1023.03
    isobutyl acetate 1343.79
    tetrachloromethane 1378.19
    n-pentyl acetate 1974.52
    transcutol 4316.11
    n-heptanol 1205.33
    ethylbenzene 1482.9
    MIBK 1935.12
    2-propoxyethanol 2378.83
    tert-butanol 2468.56
    MTBE 4524.06
    2-butoxyethanol 1120.21
    propionic acid 664.61
    o-xylene 1326.1
    formic acid 36.42
    diethyl ether 6400.21
    m-xylene 1704.88
    p-xylene 1382.24
    chlorobenzene 2126.21
    dimethyl carbonate 360.56
    n-octane 1096.87
    formamide 75.03
    cyclopentanone 2959.38
    2-pentanone 3023.66
    anisole 1532.88
    cyclopentyl methyl ether 3941.17
    gamma-butyrolactone 2070.59
    1-methoxy-2-propanol 1170.85
    pyridine 3886.44
    3-pentanone 2139.88
    furfural 1298.74
    n-dodecane 471.8
    diethylene glycol 582.81
    diisopropyl ether 2379.75
    tert-amyl alcohol 2117.1
    acetylacetone 1894.19
    n-hexadecane 567.99
    acetophenone 918.06
    methyl propionate 1440.64
    isopentyl acetate 4685.13
    trichloroethylene 4317.17
    n-nonanol 1074.69
    cyclohexanol 2252.77
    benzyl alcohol 647.42
    2-ethylhexanol 3631.31
    isooctanol 1066.19
    dipropyl ether 8772.17
    1,2-dichlorobenzene 1534.07
    ethyl lactate 358.19
    propylene carbonate 1423.87
    n-methylformamide 342.36
    2-pentanol 1935.37
    n-pentane 2770.49
    1-propoxy-2-propanol 2905.29
    1-methoxy-2-propyl acetate 2415.51
    2-(2-methoxypropoxy) propanol 924.41
    mesitylene 1106.7
    ε-caprolactone 2631.26
    p-cymene 1512.37
    epichlorohydrin 3031.27
    1,1,1-trichloroethane 4361.66
    2-aminoethanol 203.45
    morpholine-4-carbaldehyde 1209.2
    sulfolane 1791.56
    2,2,4-trimethylpentane 692.44
    2-methyltetrahydrofuran 6142.69
    n-hexyl acetate 2388.81
    isooctane 758.87
    2-(2-butoxyethoxy)ethanol 1453.01
    sec-butyl acetate 1472.93
    tert-butyl acetate 2298.41
    decalin 1156.76
    glycerin 166.68
    diglyme 2776.24
    acrylic acid 363.2
    isopropyl myristate 1068.36
    n-butyric acid 1822.11
    acetyl acetate 1317.35
    di(2-ethylhexyl) phthalate 529.58
    ethyl propionate 1624.16
    nitromethane 847.72
    1,2-diethoxyethane 5060.23
    benzonitrile 1440.05
    trioctyl phosphate 477.8
    1-bromopropane 5562.76
    gamma-valerolactone 2239.44
    n-decanol 802.7
    triethyl phosphate 776.37
    4-methyl-2-pentanol 1154.64
    propionitrile 2168.11
    vinylene carbonate 979.07
    1,1,2-trichlorotrifluoroethane 1053.33
    DMS 811.35
    cumene 812.55
    2-octanol 944.49
    2-hexanone 2389.23
    octyl acetate 1132.4
    limonene 3023.55
    1,2-dimethoxyethane 2695.71
    ethyl orthosilicate 931.3
    tributyl phosphate 652.46
    diacetone alcohol 1253.44
    N,N-dimethylaniline 881.44
    acrylonitrile 1419.26
    aniline 1465.57
    1,3-propanediol 461.83
    bromobenzene 3036.15
    dibromomethane 4726.49
    1,1,2,2-tetrachloroethane 3642.44
    2-methyl-cyclohexyl acetate 1621.53
    tetrabutyl urea 823.15
    diisobutyl methanol 1937.63
    2-phenylethanol 1308.69
    styrene 1800.62
    dioctyl adipate 1066.78
    dimethyl sulfate 392.37
    ethyl butyrate 3945.78
    methyl lactate 292.51
    butyl lactate 738.4
    diethyl carbonate 1713.58
    propanediol butyl ether 588.72
    triethyl orthoformate 2249.01
    p-tert-butyltoluene 1418.09
    methyl 4-tert-butylbenzoate 862.46
    morpholine 4430.45
    tert-butylamine 2652.73
    n-dodecanol 662.61
    dimethoxymethane 1360.82
    ethylene carbonate 1123.54
    cyrene 457.32
    2-ethoxyethyl acetate 1660.99
    2-ethylhexyl acetate 4108.28
    1,2,4-trichlorobenzene 1485.12
    4-methylpyridine 3437.61
    dibutyl ether 4927.43
    2,6-dimethyl-4-heptanol 1937.63
    DEF 2058.29
    dimethyl isosorbide 1523.44
    tetrachloroethylene 2272.34
    eugenol 604.79
    triacetin 1026.93
    span 80 1091.24
    1,4-butanediol 155.3
    1,1-dichloroethane 4104.52
    2-methyl-1-pentanol 1233.03
    methyl formate 267.71
    2-methyl-1-butanol 1612.81
    n-decane 973.36
    butyronitrile 3158.37
    3,7-dimethyl-1-octanol 1576.09
    1-chlorooctane 1918.4
    1-chlorotetradecane 700.37
    n-nonane 1210.3
    undecane 630.03
    tert-butylcyclohexane 943.01
    cyclooctane 2035.41
    cyclopentanol 1567.0
    tetrahydropyran 8486.91
    tert-amyl methyl ether 2797.39
    2,5,8-trioxanonane 1573.34
    1-hexene 5820.73
    2-isopropoxyethanol 763.42
    2,2,2-trifluoroethanol 92.6
    methyl butyrate 2105.74

    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