(4-Methoxybutylidene)cyclohexane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93777-41-4

    Molecular formula
    C11H20O

    SMILES
    COCCCC=C1CCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Green 61.46%
    Fruity 58.21%
    Floral 58.14%
    Fresh 44.63%
    Citrus 41.34%
    Waxy 36.92%
    Rose 33.8%
    Woody 33.31%
    Aldehydic 31.53%
    Fatty 30.69%

     

    Flavor
    Fruity 37.24%
    Green 36.46%
    Floral 30.13%
    Rose 30.01%
    Fresh 27.38%
    Waxy 26.24%
    Spicy 25.92%
    Herbal 25.46%
    Fatty 20.53%
    Plant 20.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.19 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 82.67 ˚C est.

  • Synonyms

    • (4-Methoxybutylidene)cyclohexane
    • 93777-41-4
    • EINECS 298-072-3
    • Cyclohexane, (4-methoxybutylidene)-
    • DTXSID40239615
    • RefChem:69483
    • DTXCID90162106
    • 298-072-3
    • 4-methoxybutylidenecyclohexane
    • SCHEMBL29827710
    • para-methoxybutylidene cyclohexane
    • VALMDEDTYYMWAS-UHFFFAOYSA-N
    • NS00012818
    • 93777-41-4

  • Applications

    For (4-Methoxybutylidene)cyclohexane (CAS 93777-41-4), potential applications include use as an intermediate in organic synthesis; functioning as a solvent or processing aid in industrial manufacturing; serving as a fragrance ingredient or fragrance intermediate in perfumery; contributing as a cosmetic fragrance component in personal care; acting as a processing aid or compatibility modifier in polymers and plastics; and being employed as a solvent component in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6158.23
    methanol 4265.92
    isopropanol 6244.72
    water 0.21
    ethyl acetate 12418.96
    n-propanol 6130.08
    acetone 12350.82
    n-butanol 6204.54
    acetonitrile 9181.16
    DMF 4233.74
    toluene 4573.63
    isobutanol 4277.24
    1,4-dioxane 12737.92
    methyl acetate 7568.62
    THF 11778.21
    2-butanone 8849.11
    n-pentanol 3076.66
    sec-butanol 5490.5
    n-hexane 2001.28
    ethylene glycol 636.17
    NMP 2544.68
    cyclohexane 4287.87
    DMSO 7482.04
    n-butyl acetate 5762.47
    n-octanol 988.07
    chloroform 16491.45
    n-propyl acetate 4658.11
    acetic acid 4400.9
    dichloromethane 16531.75
    cyclohexanone 8641.41
    propylene glycol 1239.47
    isopropyl acetate 5699.34
    DMAc 2482.3
    2-ethoxyethanol 3920.0
    isopentanol 5079.69
    n-heptane 1123.09
    ethyl formate 3480.86
    1,2-dichloroethane 11958.51
    n-hexanol 3346.89
    2-methoxyethanol 6331.88
    isobutyl acetate 2147.83
    tetrachloromethane 3842.1
    n-pentyl acetate 2487.15
    transcutol 14024.63
    n-heptanol 990.81
    ethylbenzene 1464.23
    MIBK 3291.94
    2-propoxyethanol 4391.41
    tert-butanol 7899.56
    MTBE 9688.61
    2-butoxyethanol 1974.92
    propionic acid 3766.2
    o-xylene 1750.0
    formic acid 682.15
    diethyl ether 17380.64
    m-xylene 2102.94
    p-xylene 1511.72
    chlorobenzene 4159.14
    dimethyl carbonate 1268.95
    n-octane 278.21
    formamide 1245.62
    cyclopentanone 7213.94
    2-pentanone 8203.05
    anisole 2601.41
    cyclopentyl methyl ether 7720.06
    gamma-butyrolactone 6699.95
    1-methoxy-2-propanol 4680.33
    pyridine 9821.84
    3-pentanone 6028.85
    furfural 4602.24
    n-dodecane 131.83
    diethylene glycol 2233.44
    diisopropyl ether 3397.43
    tert-amyl alcohol 5195.52
    acetylacetone 5976.4
    n-hexadecane 161.11
    acetophenone 1621.37
    methyl propionate 5538.0
    isopentyl acetate 3796.21
    trichloroethylene 16486.39
    n-nonanol 834.99
    cyclohexanol 5528.54
    benzyl alcohol 1676.13
    2-ethylhexanol 2000.97
    isooctanol 876.19
    dipropyl ether 5311.34
    1,2-dichlorobenzene 2970.34
    ethyl lactate 991.94
    propylene carbonate 3430.47
    n-methylformamide 2396.23
    2-pentanol 4807.57
    n-pentane 2229.31
    1-propoxy-2-propanol 3647.89
    1-methoxy-2-propyl acetate 3604.38
    2-(2-methoxypropoxy) propanol 1454.16
    mesitylene 1287.52
    ε-caprolactone 6477.8
    p-cymene 823.33
    epichlorohydrin 9351.68
    1,1,1-trichloroethane 12069.94
    2-aminoethanol 1681.47
    morpholine-4-carbaldehyde 4112.27
    sulfolane 5547.28
    2,2,4-trimethylpentane 507.35
    2-methyltetrahydrofuran 11774.82
    n-hexyl acetate 2861.31
    isooctane 479.56
    2-(2-butoxyethoxy)ethanol 2446.57
    sec-butyl acetate 2739.42
    tert-butyl acetate 4910.31
    decalin 772.65
    glycerin 1168.91
    diglyme 5348.22
    acrylic acid 2510.84
    isopropyl myristate 852.78
    n-butyric acid 6961.55
    acetyl acetate 4507.53
    di(2-ethylhexyl) phthalate 549.57
    ethyl propionate 3748.26
    nitromethane 7476.73
    1,2-diethoxyethane 7647.4
    benzonitrile 2870.05
    trioctyl phosphate 425.54
    1-bromopropane 10058.85
    gamma-valerolactone 7452.96
    n-decanol 580.08
    triethyl phosphate 891.46
    4-methyl-2-pentanol 1888.32
    propionitrile 6681.82
    vinylene carbonate 2823.21
    1,1,2-trichlorotrifluoroethane 5162.31
    DMS 1723.5
    cumene 746.97
    2-octanol 711.1
    2-hexanone 3758.13
    octyl acetate 972.79
    limonene 1635.02
    1,2-dimethoxyethane 6786.13
    ethyl orthosilicate 1043.05
    tributyl phosphate 675.26
    diacetone alcohol 3245.8
    N,N-dimethylaniline 1109.35
    acrylonitrile 5646.97
    aniline 4232.42
    1,3-propanediol 2971.81
    bromobenzene 4891.02
    dibromomethane 12506.3
    1,1,2,2-tetrachloroethane 13024.95
    2-methyl-cyclohexyl acetate 1465.15
    tetrabutyl urea 706.82
    diisobutyl methanol 1215.81
    2-phenylethanol 1638.32
    styrene 2325.22
    dioctyl adipate 1083.4
    dimethyl sulfate 1537.65
    ethyl butyrate 3547.65
    methyl lactate 1248.0
    butyl lactate 1268.94
    diethyl carbonate 1770.79
    propanediol butyl ether 1410.39
    triethyl orthoformate 2087.63
    p-tert-butyltoluene 839.56
    methyl 4-tert-butylbenzoate 1126.37
    morpholine 14820.87
    tert-butylamine 6122.98
    n-dodecanol 436.8
    dimethoxymethane 4822.49
    ethylene carbonate 2990.68
    cyrene 862.32
    2-ethoxyethyl acetate 3301.58
    2-ethylhexyl acetate 2855.3
    1,2,4-trichlorobenzene 3356.57
    4-methylpyridine 7240.04
    dibutyl ether 3599.28
    2,6-dimethyl-4-heptanol 1215.81
    DEF 5867.24
    dimethyl isosorbide 2074.71
    tetrachloroethylene 8616.05
    eugenol 921.58
    triacetin 1893.52
    span 80 1378.8
    1,4-butanediol 857.26
    1,1-dichloroethane 12889.46
    2-methyl-1-pentanol 2427.45
    methyl formate 1885.05
    2-methyl-1-butanol 4550.95
    n-decane 292.78
    butyronitrile 7473.66
    3,7-dimethyl-1-octanol 1211.24
    1-chlorooctane 1106.64
    1-chlorotetradecane 346.0
    n-nonane 347.12
    undecane 182.35
    tert-butylcyclohexane 600.9
    cyclooctane 1179.8
    cyclopentanol 4162.76
    tetrahydropyran 17958.28
    tert-amyl methyl ether 5101.03
    2,5,8-trioxanonane 2586.29
    1-hexene 4933.97
    2-isopropoxyethanol 2651.85
    2,2,2-trifluoroethanol 960.75
    methyl butyrate 4566.61

    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