Cyclohexadieneacetaldehyde, 4-(1-methylethyl)-

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  • Identifiers

    CAS number
    93941-67-4

    Molecular formula
    C11H16O

    SMILES
    CC(C)C1=CC=C(CC1)CC=O

    Safety labels

  • Odor profile

    Fragrance
    Aldehydic 52.37%
    Green 51.71%
    Herbal 50.96%
    Citrus 44.7%
    Spicy 43.15%
    Fatty 42.08%
    Fresh 41.83%
    Woody 38.9%
    Floral 37.95%
    Ozone 31.71%

     

    Flavor
    Herbal 54.84%
    Spicy 49.47%
    Spice 46.15%
    Fatty 42.81%
    Woody 40.5%
    Oily 38.55%
    Green 34.34%
    Floral 32.72%
    Fresh 31.34%
    Mint 29.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.27 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    242°C

    Flash point

    • 103.99 ˚C est.

  • Synonyms

    • 93941-67-4
    • Cyclohexadieneacetaldehyde, 4-(1-methylethyl)-
    • RefChem:580350
    • DTXSID401068166
    • 4-(Isopropyl)cyclohexadieneacetaldehyde
    • EINECS 300-516-9
    • DTXSID40869158
    • AWSBPDVWCHGCNK-UHFFFAOYSA-N
    • NS00064419
    • [4-(Propan-2-yl)cyclohexa-1,3-dien-1-yl]acetaldehyde
    • 93941-67-4

  • Applications

    Cyclohexadieneacetaldehyde, 4-(1-methylethyl)- (CAS 93941-67-4) is primarily used as an intermediate in fragrance chemistry, serving as an odorant or building block for the synthesis of more complex scent compounds; in cosmetics and personal care it can function as a fragrance ingredient; in household products and cleaners it may be included in formulations as a fragrance component; in industrial manufacturing it is used as an intermediate for the preparation of specialty chemicals and fragrance-related intermediates, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 317.57
    methanol 274.78
    isopropanol 234.73
    water 0.18
    ethyl acetate 489.38
    n-propanol 274.6
    acetone 375.42
    n-butanol 250.91
    acetonitrile 352.9
    DMF 359.45
    toluene 402.31
    isobutanol 156.82
    1,4-dioxane 899.54
    methyl acetate 378.86
    THF 672.91
    2-butanone 419.16
    n-pentanol 146.99
    sec-butanol 161.78
    n-hexane 36.5
    ethylene glycol 34.85
    NMP 243.41
    cyclohexane 78.88
    DMSO 299.27
    n-butyl acetate 300.79
    n-octanol 50.61
    chloroform 1192.9
    n-propyl acetate 208.76
    acetic acid 173.64
    dichloromethane 817.77
    cyclohexanone 477.92
    propylene glycol 72.19
    isopropyl acetate 226.82
    DMAc 285.61
    2-ethoxyethanol 193.14
    isopentanol 179.43
    n-heptane 21.23
    ethyl formate 173.72
    1,2-dichloroethane 575.46
    n-hexanol 222.08
    2-methoxyethanol 343.25
    isobutyl acetate 127.63
    tetrachloromethane 143.84
    n-pentyl acetate 116.14
    transcutol 1241.61
    n-heptanol 62.61
    ethylbenzene 130.49
    MIBK 165.47
    2-propoxyethanol 333.31
    tert-butanol 275.88
    MTBE 287.18
    2-butoxyethanol 138.05
    propionic acid 162.43
    o-xylene 154.11
    formic acid 50.66
    diethyl ether 499.32
    m-xylene 199.74
    p-xylene 141.67
    chlorobenzene 322.44
    dimethyl carbonate 90.86
    n-octane 6.8
    formamide 92.51
    cyclopentanone 423.75
    2-pentanone 304.73
    anisole 247.42
    cyclopentyl methyl ether 308.89
    gamma-butyrolactone 395.44
    1-methoxy-2-propanol 265.34
    pyridine 698.0
    3-pentanone 260.71
    furfural 405.37
    n-dodecane 5.04
    diethylene glycol 174.22
    diisopropyl ether 99.34
    tert-amyl alcohol 163.7
    acetylacetone 274.17
    n-hexadecane 6.11
    acetophenone 189.03
    methyl propionate 272.66
    isopentyl acetate 252.95
    trichloroethylene 968.48
    n-nonanol 50.8
    cyclohexanol 212.36
    benzyl alcohol 177.88
    2-ethylhexanol 115.43
    isooctanol 52.83
    dipropyl ether 184.41
    1,2-dichlorobenzene 251.73
    ethyl lactate 73.19
    propylene carbonate 212.97
    n-methylformamide 168.26
    2-pentanol 144.74
    n-pentane 34.16
    1-propoxy-2-propanol 236.51
    1-methoxy-2-propyl acetate 308.48
    2-(2-methoxypropoxy) propanol 182.68
    mesitylene 108.35
    ε-caprolactone 376.15
    p-cymene 67.14
    epichlorohydrin 603.08
    1,1,1-trichloroethane 524.2
    2-aminoethanol 97.25
    morpholine-4-carbaldehyde 393.21
    sulfolane 327.36
    2,2,4-trimethylpentane 14.48
    2-methyltetrahydrofuran 495.4
    n-hexyl acetate 151.5
    isooctane 14.46
    2-(2-butoxyethoxy)ethanol 246.25
    sec-butyl acetate 142.0
    tert-butyl acetate 225.46
    decalin 29.82
    glycerin 85.44
    diglyme 488.11
    acrylic acid 121.54
    isopropyl myristate 66.79
    n-butyric acid 280.82
    acetyl acetate 203.88
    di(2-ethylhexyl) phthalate 67.04
    ethyl propionate 180.7
    nitromethane 306.9
    1,2-diethoxyethane 437.59
    benzonitrile 257.36
    trioctyl phosphate 40.01
    1-bromopropane 372.32
    gamma-valerolactone 553.27
    n-decanol 38.79
    triethyl phosphate 81.92
    4-methyl-2-pentanol 82.25
    propionitrile 311.45
    vinylene carbonate 208.68
    1,1,2-trichlorotrifluoroethane 298.71
    DMS 171.55
    cumene 74.53
    2-octanol 36.96
    2-hexanone 201.12
    octyl acetate 73.22
    limonene 98.16
    1,2-dimethoxyethane 403.84
    ethyl orthosilicate 85.11
    tributyl phosphate 58.66
    diacetone alcohol 198.3
    N,N-dimethylaniline 139.7
    acrylonitrile 314.03
    aniline 342.86
    1,3-propanediol 158.23
    bromobenzene 362.88
    dibromomethane 606.49
    1,1,2,2-tetrachloroethane 725.14
    2-methyl-cyclohexyl acetate 136.59
    tetrabutyl urea 69.4
    diisobutyl methanol 71.22
    2-phenylethanol 191.36
    styrene 183.63
    dioctyl adipate 100.8
    dimethyl sulfate 107.35
    ethyl butyrate 195.24
    methyl lactate 88.13
    butyl lactate 89.55
    diethyl carbonate 127.3
    propanediol butyl ether 113.83
    triethyl orthoformate 135.33
    p-tert-butyltoluene 69.21
    methyl 4-tert-butylbenzoate 132.47
    morpholine 903.18
    tert-butylamine 179.29
    n-dodecanol 30.4
    dimethoxymethane 284.02
    ethylene carbonate 180.48
    cyrene 123.88
    2-ethoxyethyl acetate 222.73
    2-ethylhexyl acetate 192.91
    1,2,4-trichlorobenzene 292.49
    4-methylpyridine 579.36
    dibutyl ether 120.3
    2,6-dimethyl-4-heptanol 71.22
    DEF 309.34
    dimethyl isosorbide 291.66
    tetrachloroethylene 451.44
    eugenol 126.14
    triacetin 168.76
    span 80 131.66
    1,4-butanediol 49.11
    1,1-dichloroethane 603.48
    2-methyl-1-pentanol 113.05
    methyl formate 113.51
    2-methyl-1-butanol 147.4
    n-decane 8.93
    butyronitrile 289.21
    3,7-dimethyl-1-octanol 75.27
    1-chlorooctane 49.12
    1-chlorotetradecane 19.56
    n-nonane 8.27
    undecane 6.44
    tert-butylcyclohexane 25.82
    cyclooctane 22.45
    cyclopentanol 166.49
    tetrahydropyran 804.08
    tert-amyl methyl ether 170.08
    2,5,8-trioxanonane 310.71
    1-hexene 139.47
    2-isopropoxyethanol 142.4
    2,2,2-trifluoroethanol 53.27
    methyl butyrate 222.1

    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