(6R)-6-Butyl-1,4-cycloheptadiene

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  • Identifiers

    CAS number
    33156-91-1

    Molecular formula
    C11H18

    SMILES
    CCCC[C@@H]1CC=CCC=C1

    Safety labels

  • Odor profile

    Fragrance
    Citrus 58.77%
    Herbal 36.29%
    Gassy 34.87%
    Spicy 32.26%
    Green 29.68%
    Woody 28.68%
    Fresh 28.11%
    Lemon 27.91%
    Fatty 25.93%
    Sweet 23.63%

     

    Flavor
    Spice 30.36%
    Herbal 25.94%
    Woody 25.42%
    Wood 25.05%
    Terpentine 22.66%
    Shrimp 20.55%
    Citric 20.44%
    Diterpene 20.19%
    Alkaline 19.93%
    Low 19.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.39 (weak base)

    Molecular weight
    150.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 71.02 ˚C est.

  • Synonyms

    • 33156-91-1
    • RefChem:1050688
    • (6R)-6-Butyl-1,4-cycloheptadiene
    • (R)-6-Butyl-1,4-cycloheptadiene
    • 1,4-Cycloheptadiene, 6-butyl-, (R)-
    • (6R)-6-butylcyclohepta-1,4-diene
    • DTXSID60954772
    • 33156-91-1

  • Applications

    (6R)-6-Butyl-1,4-cycloheptadiene (CAS 33156-91-1) is primarily used as a synthetic intermediate and chiral building block in organic synthesis, enabling access to cycloalkene derivatives and enantioenriched compounds. It can function as a functional monomer or comonomer in polymers and plastics for specialty cycloalkene-containing materials. In coatings and inks, it serves as a reactive intermediate or crosslinking precursor for formulated systems. In cosmetics and personal care, and in fragrance contexts, it may act as a fragrance-related intermediate or formulation precursor. Additionally, it is of interest as a synthetic building block in pharmaceutical and agrochemical research, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3062.93
    methanol 1434.39
    isopropanol 3136.59
    water 0.02
    ethyl acetate 7186.99
    n-propanol 3243.34
    acetone 5600.74
    n-butanol 4048.04
    acetonitrile 3259.06
    DMF 2239.46
    toluene 5811.19
    isobutanol 2613.61
    1,4-dioxane 8113.02
    methyl acetate 3612.02
    THF 11912.01
    2-butanone 5675.51
    n-pentanol 2415.71
    sec-butanol 3519.4
    n-hexane 4556.35
    ethylene glycol 138.93
    NMP 1612.68
    cyclohexane 7080.44
    DMSO 3547.73
    n-butyl acetate 9834.87
    n-octanol 1145.74
    chloroform 8820.17
    n-propyl acetate 3553.76
    acetic acid 975.68
    dichloromethane 9255.73
    cyclohexanone 5914.38
    propylene glycol 336.09
    isopropyl acetate 4106.17
    DMAc 1653.46
    2-ethoxyethanol 1691.92
    isopentanol 3562.4
    n-heptane 4057.77
    ethyl formate 1775.28
    1,2-dichloroethane 8015.95
    n-hexanol 5312.23
    2-methoxyethanol 2544.52
    isobutyl acetate 1997.44
    tetrachloromethane 2151.28
    n-pentyl acetate 2534.73
    transcutol 6980.44
    n-heptanol 1261.58
    ethylbenzene 1952.35
    MIBK 3350.08
    2-propoxyethanol 3807.68
    tert-butanol 4294.04
    MTBE 9015.75
    2-butoxyethanol 1499.95
    propionic acid 1225.84
    o-xylene 1776.29
    formic acid 90.83
    diethyl ether 15353.17
    m-xylene 2468.0
    p-xylene 1795.68
    chlorobenzene 3356.12
    dimethyl carbonate 682.28
    n-octane 868.26
    formamide 199.65
    cyclopentanone 4713.68
    2-pentanone 6139.75
    anisole 2398.92
    cyclopentyl methyl ether 6744.67
    gamma-butyrolactone 3358.67
    1-methoxy-2-propanol 2427.02
    pyridine 7099.75
    3-pentanone 4320.77
    furfural 2016.49
    n-dodecane 354.84
    diethylene glycol 1081.29
    diisopropyl ether 4118.96
    tert-amyl alcohol 3500.98
    acetylacetone 3316.88
    n-hexadecane 423.64
    acetophenone 1336.38
    methyl propionate 3136.47
    isopentyl acetate 6288.25
    trichloroethylene 7746.71
    n-nonanol 1021.21
    cyclohexanol 3576.13
    benzyl alcohol 1071.9
    2-ethylhexanol 4009.32
    isooctanol 1070.84
    dipropyl ether 10821.03
    1,2-dichlorobenzene 2194.14
    ethyl lactate 510.12
    propylene carbonate 2027.89
    n-methylformamide 854.21
    2-pentanol 3688.07
    n-pentane 4300.46
    1-propoxy-2-propanol 3781.13
    1-methoxy-2-propyl acetate 3779.45
    2-(2-methoxypropoxy) propanol 1077.16
    mesitylene 1500.19
    ε-caprolactone 4291.31
    p-cymene 1414.72
    epichlorohydrin 5777.06
    1,1,1-trichloroethane 6964.87
    2-aminoethanol 432.99
    morpholine-4-carbaldehyde 2110.99
    sulfolane 3103.63
    2,2,4-trimethylpentane 869.59
    2-methyltetrahydrofuran 10689.15
    n-hexyl acetate 2834.63
    isooctane 923.25
    2-(2-butoxyethoxy)ethanol 1745.14
    sec-butyl acetate 2343.71
    tert-butyl acetate 3646.64
    decalin 1236.41
    glycerin 335.67
    diglyme 3726.98
    acrylic acid 641.03
    isopropyl myristate 1057.4
    n-butyric acid 3385.05
    acetyl acetate 2330.03
    di(2-ethylhexyl) phthalate 557.25
    ethyl propionate 2878.12
    nitromethane 1747.29
    1,2-diethoxyethane 8230.07
    benzonitrile 2020.16
    trioctyl phosphate 487.65
    1-bromopropane 10818.87
    gamma-valerolactone 3791.28
    n-decanol 759.84
    triethyl phosphate 932.39
    4-methyl-2-pentanol 1751.86
    propionitrile 3856.96
    vinylene carbonate 1529.47
    1,1,2-trichlorotrifluoroethane 1846.98
    DMS 1223.36
    cumene 917.21
    2-octanol 893.95
    2-hexanone 3944.03
    octyl acetate 1145.6
    limonene 3064.63
    1,2-dimethoxyethane 4878.75
    ethyl orthosilicate 1139.61
    tributyl phosphate 699.29
    diacetone alcohol 2049.91
    N,N-dimethylaniline 1156.38
    acrylonitrile 2688.66
    aniline 2620.04
    1,3-propanediol 1029.23
    bromobenzene 4595.79
    dibromomethane 8520.4
    1,1,2,2-tetrachloroethane 6231.65
    2-methyl-cyclohexyl acetate 1901.36
    tetrabutyl urea 870.1
    diisobutyl methanol 1978.78
    2-phenylethanol 1924.72
    styrene 2702.37
    dioctyl adipate 1130.11
    dimethyl sulfate 704.93
    ethyl butyrate 5443.86
    methyl lactate 533.84
    butyl lactate 923.14
    diethyl carbonate 2336.32
    propanediol butyl ether 761.53
    triethyl orthoformate 2743.45
    p-tert-butyltoluene 1299.05
    methyl 4-tert-butylbenzoate 896.08
    morpholine 8722.59
    tert-butylamine 4352.05
    n-dodecanol 629.38
    dimethoxymethane 3256.75
    ethylene carbonate 1662.83
    cyrene 605.86
    2-ethoxyethyl acetate 2627.24
    2-ethylhexyl acetate 5408.45
    1,2,4-trichlorobenzene 2135.34
    4-methylpyridine 6162.76
    dibutyl ether 5357.11
    2,6-dimethyl-4-heptanol 1978.78
    DEF 4260.96
    dimethyl isosorbide 1925.59
    tetrachloroethylene 4108.12
    eugenol 729.4
    triacetin 1296.42
    span 80 1139.73
    1,4-butanediol 308.52
    1,1-dichloroethane 8074.7
    2-methyl-1-pentanol 2208.5
    methyl formate 601.77
    2-methyl-1-butanol 3188.91
    n-decane 713.69
    butyronitrile 5729.94
    3,7-dimethyl-1-octanol 1537.0
    1-chlorooctane 1760.09
    1-chlorotetradecane 616.45
    n-nonane 919.2
    undecane 471.48
    tert-butylcyclohexane 975.43
    cyclooctane 2307.9
    cyclopentanol 2275.53
    tetrahydropyran 15344.86
    tert-amyl methyl ether 4917.4
    2,5,8-trioxanonane 1950.99
    1-hexene 8903.64
    2-isopropoxyethanol 1381.51
    2,2,2-trifluoroethanol 161.68
    methyl butyrate 3650.15

    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