beta,4-Dimethylcyclohexanepropionaldehyde

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  • Identifiers

    CAS number
    70964-95-3

    Molecular formula
    C11H20O

    SMILES
    CC1CCC(CC1)C(C)CC=O

  • Odor profile

    Fragrance
    Green 86.38%
    Aldehydic 64.3%
    Citrus 57.88%
    Floral 57.29%
    Fresh 55.95%
    Muguet 38.58%
    Fruity 36.86%
    Herbal 36.66%
    Lily 35.63%
    Ozone 35.48%

     

    Flavor
    Green 51.38%
    Fresh 40.98%
    Herbal 40.66%
    Waxy 40.6%
    Fruity 37.95%
    Fatty 35.83%
    Sweet 32.91%
    Citrus 30.69%
    Oily 28.79%
    Floral 28.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.67 (neutral)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point

    • 92.35 ˚C est.

  • Synonyms

    • beta,4-Dimethylcyclohexanepropionaldehyde
    • 70964-95-3
    • EINECS 275-066-9
    • 3-(4-methylcyclohexyl)butanal
    • SCHEMBL1026314
    • DTXSID20991269
    • NS00063028

  • Applications

    beta,4-Dimethylcyclohexanepropionaldehyde (CAS 70964-95-3) is primarily used in perfumery as an aroma chemical and fragrance intermediate, providing woody and green notes and serving as a building block for more complex fragrance ingredients. In cosmetics and personal care, it may be used as a fragrance component in formulations such as creams, lotions, and soaps, subject to regulatory limits. In household and cleaning products, it can function as an odorant additive to impart a characteristic scent in detergents and air fresheners. In coatings and inks, it is sometimes evaluated as a fragrance or odorant additive to convey specific notes. In polymers/plastics, it may be used as a fragrance additive or chemical intermediate in polymer formulations or during processing where odor release is considered. These roles are typically as a fragrance ingredient or synthesis intermediate and are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3039.14
    methanol 1622.42
    isopropanol 3207.62
    water 0.26
    ethyl acetate 3526.0
    n-propanol 2755.52
    acetone 4158.71
    n-butanol 2534.02
    acetonitrile 2996.82
    DMF 1983.12
    toluene 1075.63
    isobutanol 1848.9
    1,4-dioxane 4572.75
    methyl acetate 2339.93
    THF 5647.88
    2-butanone 3004.12
    n-pentanol 1008.07
    sec-butanol 1655.68
    n-hexane 267.66
    ethylene glycol 185.71
    NMP 1147.27
    cyclohexane 624.04
    DMSO 2216.64
    n-butyl acetate 2441.45
    n-octanol 348.56
    chloroform 5321.65
    n-propyl acetate 1415.4
    acetic acid 1172.55
    dichloromethane 4926.85
    cyclohexanone 3484.24
    propylene glycol 409.65
    isopropyl acetate 1914.92
    DMAc 817.72
    2-ethoxyethanol 1049.98
    isopentanol 1884.88
    n-heptane 194.28
    ethyl formate 1666.86
    1,2-dichloroethane 3612.99
    n-hexanol 1732.4
    2-methoxyethanol 2437.83
    isobutyl acetate 750.59
    tetrachloromethane 870.31
    n-pentyl acetate 732.72
    transcutol 3712.02
    n-heptanol 442.17
    ethylbenzene 425.55
    MIBK 1201.93
    2-propoxyethanol 2179.75
    tert-butanol 2997.45
    MTBE 2591.9
    2-butoxyethanol 767.68
    propionic acid 1413.11
    o-xylene 505.93
    formic acid 235.91
    diethyl ether 3207.05
    m-xylene 679.85
    p-xylene 507.6
    chlorobenzene 1493.93
    dimethyl carbonate 378.7
    n-octane 55.2
    formamide 507.08
    cyclopentanone 3530.51
    2-pentanone 2737.04
    anisole 807.91
    cyclopentyl methyl ether 2225.65
    gamma-butyrolactone 3601.48
    1-methoxy-2-propanol 1982.7
    pyridine 2685.76
    3-pentanone 1448.98
    furfural 2036.69
    n-dodecane 31.94
    diethylene glycol 937.0
    diisopropyl ether 764.65
    tert-amyl alcohol 1388.75
    acetylacetone 2044.39
    n-hexadecane 38.45
    acetophenone 588.55
    methyl propionate 1785.22
    isopentyl acetate 1692.79
    trichloroethylene 5067.3
    n-nonanol 289.08
    cyclohexanol 1779.77
    benzyl alcohol 574.7
    2-ethylhexanol 818.37
    isooctanol 353.05
    dipropyl ether 1427.2
    1,2-dichlorobenzene 1072.13
    ethyl lactate 353.58
    propylene carbonate 1760.35
    n-methylformamide 1407.44
    2-pentanol 1519.08
    n-pentane 292.18
    1-propoxy-2-propanol 1773.39
    1-methoxy-2-propyl acetate 1720.79
    2-(2-methoxypropoxy) propanol 566.72
    mesitylene 391.64
    ε-caprolactone 2483.16
    p-cymene 288.77
    epichlorohydrin 4086.3
    1,1,1-trichloroethane 3279.23
    2-aminoethanol 633.77
    morpholine-4-carbaldehyde 1569.5
    sulfolane 2359.5
    2,2,4-trimethylpentane 91.18
    2-methyltetrahydrofuran 4070.94
    n-hexyl acetate 878.0
    isooctane 102.85
    2-(2-butoxyethoxy)ethanol 931.16
    sec-butyl acetate 874.6
    tert-butyl acetate 1521.61
    decalin 148.8
    glycerin 397.68
    diglyme 1927.9
    acrylic acid 827.17
    isopropyl myristate 300.04
    n-butyric acid 2828.77
    acetyl acetate 1268.06
    di(2-ethylhexyl) phthalate 226.32
    ethyl propionate 1123.9
    nitromethane 2295.3
    1,2-diethoxyethane 2047.46
    benzonitrile 1097.81
    trioctyl phosphate 178.13
    1-bromopropane 2357.91
    gamma-valerolactone 3714.89
    n-decanol 210.01
    triethyl phosphate 304.02
    4-methyl-2-pentanol 695.34
    propionitrile 2563.53
    vinylene carbonate 1417.1
    1,1,2-trichlorotrifluoroethane 1416.28
    DMS 574.37
    cumene 258.22
    2-octanol 271.51
    2-hexanone 1333.22
    octyl acetate 350.04
    limonene 537.26
    1,2-dimethoxyethane 2212.16
    ethyl orthosilicate 329.66
    tributyl phosphate 255.25
    diacetone alcohol 1291.45
    N,N-dimethylaniline 371.03
    acrylonitrile 2215.34
    aniline 1312.76
    1,3-propanediol 1338.32
    bromobenzene 1578.54
    dibromomethane 3479.4
    1,1,2,2-tetrachloroethane 3484.04
    2-methyl-cyclohexyl acetate 615.32
    tetrabutyl urea 272.9
    diisobutyl methanol 463.07
    2-phenylethanol 735.1
    styrene 558.69
    dioctyl adipate 376.25
    dimethyl sulfate 429.86
    ethyl butyrate 1370.81
    methyl lactate 497.53
    butyl lactate 504.8
    diethyl carbonate 690.06
    propanediol butyl ether 546.62
    triethyl orthoformate 717.47
    p-tert-butyltoluene 289.23
    methyl 4-tert-butylbenzoate 473.01
    morpholine 5020.93
    tert-butylamine 2049.49
    n-dodecanol 157.71
    dimethoxymethane 1668.47
    ethylene carbonate 1400.12
    cyrene 377.88
    2-ethoxyethyl acetate 977.14
    2-ethylhexyl acetate 1191.3
    1,2,4-trichlorobenzene 1085.92
    4-methylpyridine 2297.0
    dibutyl ether 786.21
    2,6-dimethyl-4-heptanol 463.07
    DEF 1679.42
    dimethyl isosorbide 1022.45
    tetrachloroethylene 2234.16
    eugenol 412.1
    triacetin 587.04
    span 80 500.82
    1,4-butanediol 307.86
    1,1-dichloroethane 4096.11
    2-methyl-1-pentanol 706.95
    methyl formate 954.9
    2-methyl-1-butanol 1339.53
    n-decane 64.52
    butyronitrile 2941.39
    3,7-dimethyl-1-octanol 441.02
    1-chlorooctane 318.33
    1-chlorotetradecane 99.7
    n-nonane 67.64
    undecane 43.93
    tert-butylcyclohexane 128.83
    cyclooctane 147.43
    cyclopentanol 1886.58
    tetrahydropyran 5418.7
    tert-amyl methyl ether 1102.09
    2,5,8-trioxanonane 935.29
    1-hexene 958.96
    2-isopropoxyethanol 760.76
    2,2,2-trifluoroethanol 337.76
    methyl butyrate 1589.56

    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