1-Vinyl-3-cyclohexenecarbaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1049017-63-1

    Molecular formula
    C9H12O

    SMILES
    C=CC1(CCC=CC1)C=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 82.2%
    Fruity 70.11%
    Aldehydic 41.26%
    Herbal 36.93%
    Pungent 33.33%
    Leafy 30.19%
    Fresh 30.05%
    Spicy 29.69%
    Citrus 26.43%
    Floral 23.68%

     

    Flavor
    Spice 41.3%
    Fatty 38.25%
    Sweet 37.85%
    Green 37.73%
    Spicy 35.46%
    Oily 33.96%
    Cinnamon 33.73%
    Mint 30.56%
    Fresh 29.29%
    Herbal 29.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.36 (neutral)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    183°C

    Flash point

    • 79.91 ˚C est.

  • Synonyms

    • 3GE3UVI0MT
    • 1-vinylcyclohex-3-enecarbaldehyde
    • 1049017-63-1
    • 1-Vinyl-3-cyclohexenecarbaldehyde
    • 3-CYCLOHEXENE-1-CARBOXALDEHYDE, 1-ETHENYL-
    • 1-ETHENYLCYCLOHEX-3-ENE-1-CARBALDEHYDE
    • 1-Ethenyl-3-cyclohexene-1-carboxaldehyde
    • DTXSID10889262
    • FEMA NO. 4783, 1-
    • RefChem:436891
    • DTXCID801028526
    • UNII-3GE3UVI0MT
    • SCHEMBL14895047
    • 1-vinylcyclohex-3-ene carbaldehyde
    • 1049017-63-1

  • Applications

    1-Vinyl-3-cyclohexenecarbaldehyde (CAS 1049017-63-1) is primarily used as a synthetic intermediate in fragrance and cosmetics, serving as a fragrance ingredient or precursor for aroma synthesis; it may be evaluated for applications in household and personal care products as a fragrance component or intermediate; it has potential as a functional monomer for specialty polymers and plastics; it is considered a functional component for coatings/inks and adhesives in industrial settings; and it can serve as an intermediate for the synthesis of other industrial chemicals used in material and additive production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 293.49
    methanol 274.92
    isopropanol 256.48
    water 1.91
    ethyl acetate 345.05
    n-propanol 293.95
    acetone 290.61
    n-butanol 228.73
    acetonitrile 312.74
    DMF 439.72
    toluene 183.12
    isobutanol 214.01
    1,4-dioxane 756.58
    methyl acetate 398.92
    THF 672.85
    2-butanone 364.03
    n-pentanol 180.41
    sec-butanol 226.58
    n-hexane 45.11
    ethylene glycol 53.92
    NMP 409.22
    cyclohexane 57.99
    DMSO 418.16
    n-butyl acetate 280.01
    n-octanol 124.81
    chloroform 797.17
    n-propyl acetate 264.53
    acetic acid 235.61
    dichloromethane 646.86
    cyclohexanone 465.15
    propylene glycol 78.19
    isopropyl acetate 217.0
    DMAc 272.62
    2-ethoxyethanol 239.14
    isopentanol 210.17
    n-heptane 34.72
    ethyl formate 221.13
    1,2-dichloroethane 452.34
    n-hexanol 255.65
    2-methoxyethanol 315.26
    isobutyl acetate 186.25
    tetrachloromethane 147.29
    n-pentyl acetate 163.81
    transcutol 1169.55
    n-heptanol 130.15
    ethylbenzene 114.49
    MIBK 217.52
    2-propoxyethanol 347.18
    tert-butanol 283.44
    MTBE 255.72
    2-butoxyethanol 223.3
    propionic acid 296.38
    o-xylene 133.21
    formic acid 89.15
    diethyl ether 313.93
    m-xylene 149.77
    p-xylene 146.52
    chlorobenzene 264.95
    dimethyl carbonate 126.84
    n-octane 18.58
    formamide 139.96
    cyclopentanone 476.84
    2-pentanone 264.35
    anisole 243.67
    cyclopentyl methyl ether 343.83
    gamma-butyrolactone 593.02
    1-methoxy-2-propanol 298.88
    pyridine 435.29
    3-pentanone 205.34
    furfural 464.34
    n-dodecane 16.27
    diethylene glycol 224.55
    diisopropyl ether 118.41
    tert-amyl alcohol 226.3
    acetylacetone 286.23
    n-hexadecane 18.45
    acetophenone 204.11
    methyl propionate 251.07
    isopentyl acetate 242.19
    trichloroethylene 731.4
    n-nonanol 113.12
    cyclohexanol 221.09
    benzyl alcohol 168.75
    2-ethylhexanol 157.29
    isooctanol 119.23
    dipropyl ether 188.24
    1,2-dichlorobenzene 235.33
    ethyl lactate 122.47
    propylene carbonate 350.59
    n-methylformamide 255.16
    2-pentanol 179.75
    n-pentane 40.09
    1-propoxy-2-propanol 269.67
    1-methoxy-2-propyl acetate 271.27
    2-(2-methoxypropoxy) propanol 227.11
    mesitylene 113.78
    ε-caprolactone 405.51
    p-cymene 81.71
    epichlorohydrin 599.39
    1,1,1-trichloroethane 438.14
    2-aminoethanol 123.23
    morpholine-4-carbaldehyde 460.47
    sulfolane 597.21
    2,2,4-trimethylpentane 27.35
    2-methyltetrahydrofuran 476.71
    n-hexyl acetate 228.51
    isooctane 31.74
    2-(2-butoxyethoxy)ethanol 327.66
    sec-butyl acetate 186.95
    tert-butyl acetate 241.64
    decalin 44.07
    glycerin 118.78
    diglyme 527.79
    acrylic acid 224.38
    isopropyl myristate 105.01
    n-butyric acid 326.4
    acetyl acetate 189.27
    di(2-ethylhexyl) phthalate 86.77
    ethyl propionate 210.59
    nitromethane 432.69
    1,2-diethoxyethane 365.96
    benzonitrile 243.97
    trioctyl phosphate 69.11
    1-bromopropane 291.99
    gamma-valerolactone 564.71
    n-decanol 89.67
    triethyl phosphate 98.54
    4-methyl-2-pentanol 131.51
    propionitrile 308.25
    vinylene carbonate 307.13
    1,1,2-trichlorotrifluoroethane 315.43
    DMS 204.58
    cumene 89.97
    2-octanol 91.32
    2-hexanone 253.8
    octyl acetate 121.97
    limonene 110.46
    1,2-dimethoxyethane 423.16
    ethyl orthosilicate 99.25
    tributyl phosphate 85.24
    diacetone alcohol 254.98
    N,N-dimethylaniline 150.12
    acrylonitrile 348.84
    aniline 212.43
    1,3-propanediol 180.68
    bromobenzene 276.76
    dibromomethane 447.37
    1,1,2,2-tetrachloroethane 526.68
    2-methyl-cyclohexyl acetate 170.77
    tetrabutyl urea 103.57
    diisobutyl methanol 110.61
    2-phenylethanol 196.97
    styrene 143.75
    dioctyl adipate 133.56
    dimethyl sulfate 188.2
    ethyl butyrate 215.94
    methyl lactate 138.76
    butyl lactate 132.78
    diethyl carbonate 143.93
    propanediol butyl ether 191.36
    triethyl orthoformate 144.3
    p-tert-butyltoluene 80.2
    methyl 4-tert-butylbenzoate 183.43
    morpholine 658.22
    tert-butylamine 197.99
    n-dodecanol 71.04
    dimethoxymethane 306.46
    ethylene carbonate 260.66
    cyrene 188.32
    2-ethoxyethyl acetate 225.89
    2-ethylhexyl acetate 187.05
    1,2,4-trichlorobenzene 267.57
    4-methylpyridine 367.44
    dibutyl ether 157.71
    2,6-dimethyl-4-heptanol 110.61
    DEF 279.38
    dimethyl isosorbide 362.31
    tetrachloroethylene 366.54
    eugenol 187.85
    triacetin 210.57
    span 80 190.55
    1,4-butanediol 85.86
    1,1-dichloroethane 478.95
    2-methyl-1-pentanol 165.79
    methyl formate 195.35
    2-methyl-1-butanol 194.05
    n-decane 25.38
    butyronitrile 267.09
    3,7-dimethyl-1-octanol 132.11
    1-chlorooctane 97.49
    1-chlorotetradecane 42.0
    n-nonane 24.81
    undecane 20.05
    tert-butylcyclohexane 44.01
    cyclooctane 23.69
    cyclopentanol 241.79
    tetrahydropyran 546.16
    tert-amyl methyl ether 185.16
    2,5,8-trioxanonane 353.49
    1-hexene 145.69
    2-isopropoxyethanol 213.02
    2,2,2-trifluoroethanol 105.91
    methyl butyrate 271.79

    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