3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-3-penten-1-yl)-

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  • Identifiers

    CAS number
    52475-86-2

    Molecular formula
    C14H22O

    SMILES
    CC(=CCCC1=CCC(CC1)(C)C=O)C

  • Odor profile

    Fragrance
    Citrus 69.26%
    Aldehydic 66.87%
    Fresh 56.83%
    Ozone 51.92%
    Floral 48.83%
    Herbal 47.35%
    Lemon 39.94%
    Clean 38.92%
    Green 37.8%
    Muguet 36.13%

     

    Flavor
    Spicy 46.57%
    Floral 43.02%
    Herbal 42.59%
    Fresh 41.2%
    Woody 38.86%
    Citrus 38.1%
    Fruity 38.01%
    Green 34.9%
    Wood 30.27%
    Spice 30.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.71 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    267°C

    Flash point

    • 123.26 ˚C est.

  • Synonyms

    • 52475-86-2
    • 1-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
    • 4-(4-Methyl-3-pentenyl)-1-methyl-3-cyclohexene-1-carboxaldehyde
    • 1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
    • EINECS 257-942-2
    • NSC 22288
    • 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-3-pentenyl)-
    • DTXSID6052160
    • 1-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde
    • 1-METHYL-4-(4-METHYL-PENT-3-ENYL)-CYCLOHEX-3-ENECARBALDEHYDE
    • 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-3-penten-1-yl)-
    • NSC22288
    • SCHEMBL230169
    • DTXCID6030730
    • VUIWFNRBSGUSIN-UHFFFAOYSA-N
    • BBL028400
    • NSC-22288
    • STK801989
    • AKOS015955911
    • VS-08754
    • DB-301492
    • NS00012924
    • 257-942-2

  • Applications

    3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-3-penten-1-yl)- (CAS 52475-86-2) is mainly used as a fragrance ingredient and a synthetic intermediate in perfumery and cosmetics; it is commonly employed as an odorant and as a building block for the synthesis of other aroma compounds used in fragrances, personal care products, and some household odorants; it can serve as a precursor in aroma-release formulations for coatings or inks; as with many aldehyde-containing terpenoid-like structures, its use is typically governed by local regulations and formulation limits, and it may be evaluated for specialty scent notes in limited quantities.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 643.25
    methanol 381.08
    isopropanol 498.79
    water 0.13
    ethyl acetate 1437.11
    n-propanol 481.61
    acetone 397.88
    n-butanol 578.08
    acetonitrile 468.29
    DMF 236.58
    toluene 632.06
    isobutanol 284.13
    1,4-dioxane 1258.61
    methyl acetate 671.64
    THF 1026.56
    2-butanone 683.57
    n-pentanol 304.56
    sec-butanol 424.06
    n-hexane 102.93
    ethylene glycol 25.59
    NMP 130.59
    cyclohexane 137.89
    DMSO 154.45
    n-butyl acetate 863.95
    n-octanol 143.33
    chloroform 1461.52
    n-propyl acetate 610.87
    acetic acid 242.38
    dichloromethane 1063.19
    cyclohexanone 594.64
    propylene glycol 82.02
    isopropyl acetate 875.03
    DMAc 341.06
    2-ethoxyethanol 434.74
    isopentanol 494.98
    n-heptane 61.96
    ethyl formate 361.19
    1,2-dichloroethane 719.6
    n-hexanol 489.46
    2-methoxyethanol 626.34
    isobutyl acetate 434.65
    tetrachloromethane 175.96
    n-pentyl acetate 333.63
    transcutol 2814.62
    n-heptanol 182.74
    ethylbenzene 322.94
    MIBK 482.92
    2-propoxyethanol 684.44
    tert-butanol 615.6
    MTBE 1065.51
    2-butoxyethanol 351.67
    propionic acid 231.74
    o-xylene 313.36
    formic acid 57.96
    diethyl ether 1333.47
    m-xylene 416.41
    p-xylene 346.8
    chlorobenzene 415.88
    dimethyl carbonate 150.58
    n-octane 23.71
    formamide 111.4
    cyclopentanone 394.27
    2-pentanone 674.01
    anisole 589.32
    cyclopentyl methyl ether 548.47
    gamma-butyrolactone 399.46
    1-methoxy-2-propanol 567.79
    pyridine 846.33
    3-pentanone 464.71
    furfural 455.42
    n-dodecane 14.59
    diethylene glycol 268.36
    diisopropyl ether 390.42
    tert-amyl alcohol 502.95
    acetylacetone 580.93
    n-hexadecane 17.3
    acetophenone 397.75
    methyl propionate 524.06
    isopentyl acetate 807.57
    trichloroethylene 1241.05
    n-nonanol 142.6
    cyclohexanol 318.91
    benzyl alcohol 293.21
    2-ethylhexanol 314.36
    isooctanol 168.08
    dipropyl ether 574.32
    1,2-dichlorobenzene 372.95
    ethyl lactate 167.91
    propylene carbonate 345.55
    n-methylformamide 160.71
    2-pentanol 436.76
    n-pentane 95.03
    1-propoxy-2-propanol 606.44
    1-methoxy-2-propyl acetate 837.02
    2-(2-methoxypropoxy) propanol 435.64
    mesitylene 254.93
    ε-caprolactone 603.61
    p-cymene 180.41
    epichlorohydrin 756.19
    1,1,1-trichloroethane 759.59
    2-aminoethanol 115.65
    morpholine-4-carbaldehyde 461.71
    sulfolane 237.51
    2,2,4-trimethylpentane 52.98
    2-methyltetrahydrofuran 852.69
    n-hexyl acetate 431.89
    isooctane 57.72
    2-(2-butoxyethoxy)ethanol 636.29
    sec-butyl acetate 581.55
    tert-butyl acetate 794.31
    decalin 81.18
    glycerin 95.7
    diglyme 1119.71
    acrylic acid 133.82
    isopropyl myristate 193.36
    n-butyric acid 612.35
    acetyl acetate 589.3
    di(2-ethylhexyl) phthalate 149.18
    ethyl propionate 563.3
    nitromethane 372.15
    1,2-diethoxyethane 1207.8
    benzonitrile 383.13
    trioctyl phosphate 88.11
    1-bromopropane 602.07
    gamma-valerolactone 677.66
    n-decanol 100.42
    triethyl phosphate 200.74
    4-methyl-2-pentanol 286.43
    propionitrile 503.94
    vinylene carbonate 333.03
    1,1,2-trichlorotrifluoroethane 338.42
    DMS 329.42
    cumene 217.04
    2-octanol 113.6
    2-hexanone 472.61
    octyl acetate 200.57
    limonene 234.77
    1,2-dimethoxyethane 884.09
    ethyl orthosilicate 223.83
    tributyl phosphate 135.23
    diacetone alcohol 523.47
    N,N-dimethylaniline 328.84
    acrylonitrile 399.99
    aniline 418.18
    1,3-propanediol 273.95
    bromobenzene 489.03
    dibromomethane 758.41
    1,1,2,2-tetrachloroethane 970.16
    2-methyl-cyclohexyl acetate 376.8
    tetrabutyl urea 142.48
    diisobutyl methanol 221.15
    2-phenylethanol 377.93
    styrene 394.18
    dioctyl adipate 247.83
    dimethyl sulfate 117.03
    ethyl butyrate 666.24
    methyl lactate 146.45
    butyl lactate 221.55
    diethyl carbonate 394.59
    propanediol butyl ether 249.04
    triethyl orthoformate 405.23
    p-tert-butyltoluene 188.81
    methyl 4-tert-butylbenzoate 327.94
    morpholine 1358.72
    tert-butylamine 503.82
    n-dodecanol 74.97
    dimethoxymethane 454.41
    ethylene carbonate 301.36
    cyrene 200.76
    2-ethoxyethyl acetate 568.82
    2-ethylhexyl acetate 587.54
    1,2,4-trichlorobenzene 404.45
    4-methylpyridine 816.84
    dibutyl ether 391.68
    2,6-dimethyl-4-heptanol 221.15
    DEF 576.55
    dimethyl isosorbide 643.19
    tetrachloroethylene 553.76
    eugenol 280.48
    triacetin 404.01
    span 80 310.65
    1,4-butanediol 75.17
    1,1-dichloroethane 791.98
    2-methyl-1-pentanol 321.18
    methyl formate 101.12
    2-methyl-1-butanol 381.94
    n-decane 29.82
    butyronitrile 681.19
    3,7-dimethyl-1-octanol 230.66
    1-chlorooctane 132.67
    1-chlorotetradecane 48.54
    n-nonane 28.9
    undecane 19.72
    tert-butylcyclohexane 82.75
    cyclooctane 55.27
    cyclopentanol 176.41
    tetrahydropyran 1256.7
    tert-amyl methyl ether 611.84
    2,5,8-trioxanonane 721.19
    1-hexene 377.12
    2-isopropoxyethanol 361.75
    2,2,2-trifluoroethanol 60.87
    methyl butyrate 665.0

    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