Cyclohexaneacetaldehyde, 4-(1-methylethyl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93981-63-6

    Molecular formula
    C11H20O

    SMILES
    CC(C)C1CCC(CC1)CC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 86.81%
    Aldehydic 64.86%
    Floral 63.2%
    Fresh 61.27%
    Citrus 50.85%
    Muguet 39.8%
    Herbal 37.62%
    Woody 37.48%
    Lily 37.3%
    Ozone 37.19%

     

    Flavor
    Green 55.54%
    Herbal 45.95%
    Fresh 40.08%
    Fatty 37.57%
    Fruity 31.33%
    Waxy 31.14%
    Oily 29.07%
    Spicy 27.38%
    Citrus 27.36%
    Fat 27.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.9 (neutral)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 92.58 ˚C est.

  • Synonyms

    • Cyclohexaneacetaldehyde, 4-(1-methylethyl)-
    • 93981-63-6
    • 4-(Isopropyl)cyclohexaneacetaldehyde
    • EINECS 301-149-7
    • DTXSID2072964
    • RefChem:580485
    • DTXCID0048894
    • 301-149-7
    • 2-(4-propan-2-ylcyclohexyl)acetaldehyde
    • 2-[4-(propan-2-yl)cyclohexyl]acetaldehyde
    • SCHEMBL27726418
    • DTUMUCFHNCPJHZ-UHFFFAOYSA-N
    • AT49481
    • [4-(Propan-2-yl)cyclohexyl]acetaldehyde
    • 2-(4-ISOPROPYLCYCLOHEXYL)ACETALDEHYDE
    • NS00012727
    • EN300-1848625
    • Z1511914560
    • 93981-63-6

  • Applications

    Cyclohexaneacetaldehyde, 4-(1-methylethyl)- (CAS 93981-63-6) is primarily used as an intermediate in fragrance chemistry, providing a building block for odorant compounds in perfumery; it may also be employed in cosmetics/personal care formulations as a fragrance ingredient or intermediate, and in household products as an odorant component. In industrial manufacturing, it can serve as a fragrance modifier in coatings and inks, and as a scent-related additive in polymers/plastics; it may also appear as a processing intermediate in cleaning products to contribute fragrance notes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2135.5
    methanol 1576.23
    isopropanol 2139.06
    water 0.21
    ethyl acetate 2821.41
    n-propanol 1920.4
    acetone 3089.87
    n-butanol 1825.09
    acetonitrile 2079.59
    DMF 1369.46
    toluene 962.16
    isobutanol 1249.47
    1,4-dioxane 3679.23
    methyl acetate 1817.62
    THF 4310.71
    2-butanone 2220.76
    n-pentanol 795.99
    sec-butanol 1172.56
    n-hexane 336.43
    ethylene glycol 131.49
    NMP 800.65
    cyclohexane 595.89
    DMSO 1404.41
    n-butyl acetate 1903.21
    n-octanol 272.32
    chloroform 4080.78
    n-propyl acetate 1181.28
    acetic acid 816.2
    dichloromethane 3217.05
    cyclohexanone 2466.73
    propylene glycol 278.31
    isopropyl acetate 1616.15
    DMAc 629.09
    2-ethoxyethanol 905.36
    isopentanol 1395.87
    n-heptane 179.97
    ethyl formate 1093.07
    1,2-dichloroethane 2665.17
    n-hexanol 1341.31
    2-methoxyethanol 1792.07
    isobutyl acetate 650.41
    tetrachloromethane 784.7
    n-pentyl acetate 601.71
    transcutol 3328.42
    n-heptanol 346.78
    ethylbenzene 370.7
    MIBK 996.15
    2-propoxyethanol 1727.78
    tert-butanol 2302.45
    MTBE 2387.33
    2-butoxyethanol 613.37
    propionic acid 992.22
    o-xylene 446.49
    formic acid 175.89
    diethyl ether 3029.48
    m-xylene 611.29
    p-xylene 442.6
    chlorobenzene 1192.71
    dimethyl carbonate 291.21
    n-octane 52.17
    formamide 325.69
    cyclopentanone 2443.39
    2-pentanone 2123.95
    anisole 685.17
    cyclopentyl methyl ether 1874.88
    gamma-butyrolactone 2388.47
    1-methoxy-2-propanol 1461.43
    pyridine 2027.44
    3-pentanone 1216.89
    furfural 1532.03
    n-dodecane 29.17
    diethylene glycol 760.02
    diisopropyl ether 740.94
    tert-amyl alcohol 1127.51
    acetylacetone 1548.21
    n-hexadecane 35.13
    acetophenone 488.21
    methyl propionate 1353.58
    isopentyl acetate 1389.04
    trichloroethylene 3612.47
    n-nonanol 236.46
    cyclohexanol 1368.76
    benzyl alcohol 467.56
    2-ethylhexanol 642.09
    isooctanol 292.88
    dipropyl ether 1197.19
    1,2-dichlorobenzene 883.02
    ethyl lactate 288.21
    propylene carbonate 1178.31
    n-methylformamide 975.91
    2-pentanol 1140.6
    n-pentane 301.92
    1-propoxy-2-propanol 1384.95
    1-methoxy-2-propyl acetate 1409.92
    2-(2-methoxypropoxy) propanol 473.15
    mesitylene 381.71
    ε-caprolactone 1805.16
    p-cymene 244.09
    epichlorohydrin 2855.5
    1,1,1-trichloroethane 2645.75
    2-aminoethanol 450.39
    morpholine-4-carbaldehyde 1248.81
    sulfolane 1644.38
    2,2,4-trimethylpentane 90.49
    2-methyltetrahydrofuran 2968.59
    n-hexyl acetate 706.49
    isooctane 106.98
    2-(2-butoxyethoxy)ethanol 757.39
    sec-butyl acetate 760.32
    tert-butyl acetate 1349.96
    decalin 148.6
    glycerin 297.66
    diglyme 1546.76
    acrylic acid 569.72
    isopropyl myristate 251.37
    n-butyric acid 2007.97
    acetyl acetate 990.53
    di(2-ethylhexyl) phthalate 189.51
    ethyl propionate 932.97
    nitromethane 1486.98
    1,2-diethoxyethane 1826.18
    benzonitrile 848.12
    trioctyl phosphate 142.31
    1-bromopropane 1890.98
    gamma-valerolactone 2632.05
    n-decanol 174.94
    triethyl phosphate 262.98
    4-methyl-2-pentanol 556.98
    propionitrile 1907.78
    vinylene carbonate 971.61
    1,1,2-trichlorotrifluoroethane 1104.57
    DMS 480.12
    cumene 230.78
    2-octanol 219.99
    2-hexanone 1065.26
    octyl acetate 276.62
    limonene 416.04
    1,2-dimethoxyethane 1879.44
    ethyl orthosilicate 303.69
    tributyl phosphate 211.85
    diacetone alcohol 1033.15
    N,N-dimethylaniline 326.35
    acrylonitrile 1653.59
    aniline 1059.96
    1,3-propanediol 938.62
    bromobenzene 1316.78
    dibromomethane 2488.6
    1,1,2,2-tetrachloroethane 2707.84
    2-methyl-cyclohexyl acetate 499.17
    tetrabutyl urea 218.58
    diisobutyl methanol 398.36
    2-phenylethanol 628.69
    styrene 499.06
    dioctyl adipate 308.36
    dimethyl sulfate 329.81
    ethyl butyrate 1043.03
    methyl lactate 367.51
    butyl lactate 413.97
    diethyl carbonate 543.77
    propanediol butyl ether 412.6
    triethyl orthoformate 609.67
    p-tert-butyltoluene 250.41
    methyl 4-tert-butylbenzoate 379.38
    morpholine 3776.02
    tert-butylamine 1653.34
    n-dodecanol 129.9
    dimethoxymethane 1282.55
    ethylene carbonate 976.32
    cyrene 312.26
    2-ethoxyethyl acetate 836.59
    2-ethylhexyl acetate 983.42
    1,2,4-trichlorobenzene 894.59
    4-methylpyridine 1789.35
    dibutyl ether 688.12
    2,6-dimethyl-4-heptanol 398.36
    DEF 1298.17
    dimethyl isosorbide 830.98
    tetrachloroethylene 1824.04
    eugenol 339.43
    triacetin 496.5
    span 80 416.67
    1,4-butanediol 241.88
    1,1-dichloroethane 3160.2
    2-methyl-1-pentanol 569.77
    methyl formate 618.57
    2-methyl-1-butanol 991.26
    n-decane 59.77
    butyronitrile 2157.79
    3,7-dimethyl-1-octanol 365.7
    1-chlorooctane 261.52
    1-chlorotetradecane 86.27
    n-nonane 63.49
    undecane 40.71
    tert-butylcyclohexane 136.36
    cyclooctane 152.61
    cyclopentanol 1269.85
    tetrahydropyran 4185.6
    tert-amyl methyl ether 1054.16
    2,5,8-trioxanonane 779.2
    1-hexene 1024.34
    2-isopropoxyethanol 665.87
    2,2,2-trifluoroethanol 242.67
    methyl butyrate 1206.57

    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