1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, oxime

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  • Identifiers

    CAS number
    30950-27-7

    Molecular formula
    C10H15NO

    SMILES
    CC(=C)C1CCC(=CC1)C=NO

  • Odor profile

    Fragrance
    Green 61.08%
    Herbal 59.15%
    Spicy 50.35%
    Citrus 50.27%
    Fresh 42.35%
    Fruity 34.67%
    Mint 34.44%
    Sweet 31.71%
    Aldehydic 31.59%
    Lemon 29.92%

     

    Flavor
    Herbal 52.35%
    Spice 47.53%
    Fatty 43.5%
    Green 41.04%
    Spicy 39.09%
    Fresh 38.25%
    Mint 34.01%
    Fat 33.52%
    Oily 33.42%
    Cumin 30.53%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.09 (weak base)

    Molecular weight
    165.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    257°C

    Flash point

    • 116.37 ˚C est.

  • Synonyms

    • Perillartine
    • 30950-27-7
    • DTXSID70883327
    • 138-91-0
    • 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, oxime
    • MFCD00019421
    • SCHEMBL118367
    • XCOJIVIDDFTHGB-UHFFFAOYSA-N
    • DTXCID601022865
    • SY113829
    • DB-047935
    • NS00079196
    • (E)-4-(1-Propen-2-yl)cyclohex-1-enecarbaldehyde Oxime
    • N-{[4-(PROP-1-EN-2-YL)CYCLOHEX-1-EN-1-YL]METHYLIDENE}HYDROXYLAMINE

  • Applications

    1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, oxime (CAS 30950-27-7) is primarily used as an intermediate in organic synthesis, serving as a versatile building block in fragrance and flavor chemistry for generating aroma compounds. It also functions as a polymer/plastics building block or reactive monomer owing to the isopropenyl substituent, enabling incorporation into specialty polymers or resin formulations and potentially UV-curable coatings or inks. In pharmaceutical research and development, it can act as a synthetic precursor for heterocyclic or other bioactive-like structures. Additionally, as an oxime, it can serve as a carbonyl-protecting group in multi-step syntheses, helping to mask aldehyde functionality during complex transformations. Use may be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 401.57
    methanol 325.66
    isopropanol 291.02
    water 0.08
    ethyl acetate 540.76
    n-propanol 355.14
    acetone 538.88
    n-butanol 291.08
    acetonitrile 254.78
    DMF 634.57
    toluene 324.63
    isobutanol 205.49
    1,4-dioxane 697.28
    methyl acetate 423.45
    THF 1084.67
    2-butanone 615.55
    n-pentanol 181.41
    sec-butanol 222.09
    n-hexane 10.25
    ethylene glycol 47.01
    NMP 421.68
    cyclohexane 14.86
    DMSO 859.94
    n-butyl acetate 321.75
    n-octanol 50.8
    chloroform 776.61
    n-propyl acetate 219.83
    acetic acid 216.83
    dichloromethane 669.34
    cyclohexanone 582.51
    propylene glycol 124.66
    isopropyl acetate 272.09
    DMAc 453.09
    2-ethoxyethanol 352.31
    isopentanol 240.36
    n-heptane 7.12
    ethyl formate 197.64
    1,2-dichloroethane 551.37
    n-hexanol 229.96
    2-methoxyethanol 651.77
    isobutyl acetate 129.9
    tetrachloromethane 91.5
    n-pentyl acetate 119.15
    transcutol 2316.29
    n-heptanol 68.94
    ethylbenzene 104.22
    MIBK 258.53
    2-propoxyethanol 473.98
    tert-butanol 352.17
    MTBE 335.41
    2-butoxyethanol 192.56
    propionic acid 229.4
    o-xylene 148.04
    formic acid 93.32
    diethyl ether 345.55
    m-xylene 225.84
    p-xylene 119.36
    chlorobenzene 307.17
    dimethyl carbonate 138.43
    n-octane 2.44
    formamide 190.95
    cyclopentanone 760.43
    2-pentanone 462.68
    anisole 259.37
    cyclopentyl methyl ether 485.36
    gamma-butyrolactone 708.01
    1-methoxy-2-propanol 539.92
    pyridine 629.77
    3-pentanone 323.5
    furfural 545.25
    n-dodecane 1.78
    diethylene glycol 312.03
    diisopropyl ether 85.82
    tert-amyl alcohol 248.14
    acetylacetone 439.12
    n-hexadecane 2.19
    acetophenone 206.94
    methyl propionate 417.15
    isopentyl acetate 268.06
    trichloroethylene 1262.02
    n-nonanol 48.11
    cyclohexanol 223.19
    benzyl alcohol 216.34
    2-ethylhexanol 120.21
    isooctanol 57.92
    dipropyl ether 144.63
    1,2-dichlorobenzene 237.28
    ethyl lactate 98.85
    propylene carbonate 297.21
    n-methylformamide 345.02
    2-pentanol 182.23
    n-pentane 9.39
    1-propoxy-2-propanol 375.06
    1-methoxy-2-propyl acetate 430.1
    2-(2-methoxypropoxy) propanol 238.29
    mesitylene 106.97
    ε-caprolactone 458.26
    p-cymene 54.94
    epichlorohydrin 1062.74
    1,1,1-trichloroethane 496.88
    2-aminoethanol 160.79
    morpholine-4-carbaldehyde 558.9
    sulfolane 690.85
    2,2,4-trimethylpentane 8.0
    2-methyltetrahydrofuran 742.58
    n-hexyl acetate 162.44
    isooctane 9.9
    2-(2-butoxyethoxy)ethanol 399.22
    sec-butyl acetate 152.5
    tert-butyl acetate 303.01
    decalin 11.03
    glycerin 152.85
    diglyme 715.14
    acrylic acid 159.09
    isopropyl myristate 52.39
    n-butyric acid 344.61
    acetyl acetate 183.35
    di(2-ethylhexyl) phthalate 66.62
    ethyl propionate 206.34
    nitromethane 464.78
    1,2-diethoxyethane 520.99
    benzonitrile 248.28
    trioctyl phosphate 40.36
    1-bromopropane 254.75
    gamma-valerolactone 886.06
    n-decanol 36.67
    triethyl phosphate 67.92
    4-methyl-2-pentanol 110.78
    propionitrile 252.86
    vinylene carbonate 234.97
    1,1,2-trichlorotrifluoroethane 504.38
    DMS 169.9
    cumene 61.02
    2-octanol 39.67
    2-hexanone 247.57
    octyl acetate 68.89
    limonene 77.81
    1,2-dimethoxyethane 513.84
    ethyl orthosilicate 67.74
    tributyl phosphate 58.62
    diacetone alcohol 370.47
    N,N-dimethylaniline 140.57
    acrylonitrile 313.9
    aniline 408.11
    1,3-propanediol 265.52
    bromobenzene 305.56
    dibromomethane 428.36
    1,1,2,2-tetrachloroethane 888.61
    2-methyl-cyclohexyl acetate 121.0
    tetrabutyl urea 71.47
    diisobutyl methanol 67.93
    2-phenylethanol 228.09
    styrene 132.94
    dioctyl adipate 91.7
    dimethyl sulfate 209.56
    ethyl butyrate 180.1
    methyl lactate 159.42
    butyl lactate 115.12
    diethyl carbonate 105.71
    propanediol butyl ether 201.82
    triethyl orthoformate 119.44
    p-tert-butyltoluene 57.36
    methyl 4-tert-butylbenzoate 135.53
    morpholine 1042.76
    tert-butylamine 173.1
    n-dodecanol 26.62
    dimethoxymethane 468.0
    ethylene carbonate 197.37
    cyrene 170.2
    2-ethoxyethyl acetate 270.23
    2-ethylhexyl acetate 185.56
    1,2,4-trichlorobenzene 317.3
    4-methylpyridine 634.25
    dibutyl ether 97.19
    2,6-dimethyl-4-heptanol 67.93
    DEF 393.07
    dimethyl isosorbide 416.56
    tetrachloroethylene 476.12
    eugenol 146.55
    triacetin 168.33
    span 80 173.31
    1,4-butanediol 80.38
    1,1-dichloroethane 587.4
    2-methyl-1-pentanol 162.21
    methyl formate 210.26
    2-methyl-1-butanol 195.66
    n-decane 3.23
    butyronitrile 265.59
    3,7-dimethyl-1-octanol 79.67
    1-chlorooctane 30.32
    1-chlorotetradecane 10.08
    n-nonane 2.86
    undecane 2.34
    tert-butylcyclohexane 11.95
    cyclooctane 5.53
    cyclopentanol 231.85
    tetrahydropyran 669.93
    tert-amyl methyl ether 209.35
    2,5,8-trioxanonane 403.25
    1-hexene 71.33
    2-isopropoxyethanol 238.55
    2,2,2-trifluoroethanol 67.67
    methyl butyrate 239.24

    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