3-Cyclohexene-1-propanal, beta,4-dimethyl-

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  • Identifiers

    CAS number
    6784-13-0

    Molecular formula
    C11H18O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 79.53%
    Aldehydic 64.88%
    Citrus 60.91%
    Herbal 55.37%
    Fresh 49.67%
    Floral 48.28%
    Ozone 38.51%
    Leafy 36.74%
    Muguet 33.74%
    Woody 33.28%

     

    Flavor
    Herbal 56.32%
    Green 54.31%
    Fresh 44.56%
    Fatty 39.6%
    Spicy 37.97%
    Oily 33.71%
    Spice 32.53%
    Fruity 32.27%
    Floral 31.79%
    Sweet 30.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.23 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 234.00 to 236.00 °C. @ 760.00 mm Hg

    Flash point

    • 97.5 ˚C est.

  • Synonyms

    • 6784-13-0
    • 3-(4-methylcyclohex-3-en-1-yl)butanal
    • Limonene aldehyde
    • 3-(4-Methyl-3-cyclohexenyl)butanal
    • EINECS 229-846-0
    • 3-(4-Methylcyclohex-3-en-1-yl)butyraldehyde
    • beta,4-Dimethylcyclohex-3-ene-1-propan-1-al
    • 3-Cyclohexene-1-propanal, .beta.,4-dimethyl-
    • 3-Cyclohexene-1-propanal, beta,4-dimethyl-
    • 3-(1-methylcyclohexen-4-yl)-butyraldehyde
    • 3-[1-methylcyclohexen-4-yl]-butyraldehyde
    • SCHEMBL229476
    • DTXSID1052379
    • CHEBI:171824
    • 3-(4-methyl-3-cyclohexenyl)butyraldehyde
    • beta,4-Dimethyl-3-Cyclohexene-1-propanal
    • 3-(1-methylcyclohexen-4-yl)-butyr-aldehyde
    • NS00012285
    • b,4-Dimethyl-3-cyclohexene-1-propanal, 9CI

  • Applications

    3-Cyclohexene-1-propanal, beta,4-dimethyl- (CAS 6784-13-0) is primarily used as a fragrance intermediate and odorant; in the fragrance and cosmetics industries, it serves as a fragrance component or odorant contributing to the characteristic aroma; in household products and cleaning agents, it can be used as a fragrance ingredient to improve the product scent; in industrial manufacturing, it is commonly used as an intermediate to synthesize other fragrance compounds or to develop fragrance-containing formulations; in coatings/inks and polymers/plastics, it may be evaluated as a functional additive to impart scent or to introduce aldehyde functionality, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1636.91
    methanol 899.91
    isopropanol 1535.44
    water 0.54
    ethyl acetate 1575.8
    n-propanol 1317.06
    acetone 1451.85
    n-butanol 1187.33
    acetonitrile 1508.75
    DMF 834.65
    toluene 689.58
    isobutanol 840.87
    1,4-dioxane 2686.02
    methyl acetate 1101.42
    THF 2061.34
    2-butanone 1259.35
    n-pentanol 496.49
    sec-butanol 799.61
    n-hexane 56.13
    ethylene glycol 123.18
    NMP 419.02
    cyclohexane 184.32
    DMSO 781.01
    n-butyl acetate 910.58
    n-octanol 178.81
    chloroform 2669.74
    n-propyl acetate 540.7
    acetic acid 633.72
    dichloromethane 2204.66
    cyclohexanone 1284.36
    propylene glycol 249.64
    isopropyl acetate 697.79
    DMAc 431.07
    2-ethoxyethanol 554.69
    isopentanol 831.69
    n-heptane 58.12
    ethyl formate 683.87
    1,2-dichloroethane 1348.65
    n-hexanol 807.48
    2-methoxyethanol 1282.78
    isobutyl acetate 297.93
    tetrachloromethane 321.42
    n-pentyl acetate 291.16
    transcutol 2768.23
    n-heptanol 205.67
    ethylbenzene 214.46
    MIBK 457.62
    2-propoxyethanol 1011.11
    tert-butanol 1382.1
    MTBE 958.5
    2-butoxyethanol 404.07
    propionic acid 589.19
    o-xylene 272.72
    formic acid 152.69
    diethyl ether 1389.32
    m-xylene 382.5
    p-xylene 254.88
    chlorobenzene 650.83
    dimethyl carbonate 200.76
    n-octane 17.77
    formamide 283.66
    cyclopentanone 1139.28
    2-pentanone 1026.51
    anisole 423.36
    cyclopentyl methyl ether 835.86
    gamma-butyrolactone 1135.82
    1-methoxy-2-propanol 1006.48
    pyridine 1513.76
    3-pentanone 576.2
    furfural 867.98
    n-dodecane 13.45
    diethylene glycol 525.11
    diisopropyl ether 288.3
    tert-amyl alcohol 607.74
    acetylacetone 792.29
    n-hexadecane 16.0
    acetophenone 311.83
    methyl propionate 742.97
    isopentyl acetate 672.37
    trichloroethylene 2190.45
    n-nonanol 149.87
    cyclohexanol 763.62
    benzyl alcohol 344.68
    2-ethylhexanol 340.03
    isooctanol 159.52
    dipropyl ether 504.51
    1,2-dichlorobenzene 456.44
    ethyl lactate 167.88
    propylene carbonate 597.79
    n-methylformamide 532.03
    2-pentanol 672.03
    n-pentane 87.43
    1-propoxy-2-propanol 733.97
    1-methoxy-2-propyl acetate 731.14
    2-(2-methoxypropoxy) propanol 354.38
    mesitylene 201.35
    ε-caprolactone 965.09
    p-cymene 140.96
    epichlorohydrin 1621.34
    1,1,1-trichloroethane 1261.35
    2-aminoethanol 376.35
    morpholine-4-carbaldehyde 811.75
    sulfolane 694.98
    2,2,4-trimethylpentane 32.58
    2-methyltetrahydrofuran 1650.72
    n-hexyl acetate 398.67
    isooctane 36.84
    2-(2-butoxyethoxy)ethanol 573.96
    sec-butyl acetate 348.01
    tert-butyl acetate 576.15
    decalin 52.65
    glycerin 246.89
    diglyme 1105.84
    acrylic acid 371.37
    isopropyl myristate 143.42
    n-butyric acid 1143.07
    acetyl acetate 585.21
    di(2-ethylhexyl) phthalate 130.34
    ethyl propionate 424.5
    nitromethane 1069.81
    1,2-diethoxyethane 1041.43
    benzonitrile 596.15
    trioctyl phosphate 88.37
    1-bromopropane 918.25
    gamma-valerolactone 1526.39
    n-decanol 110.31
    triethyl phosphate 142.09
    4-methyl-2-pentanol 312.8
    propionitrile 1055.6
    vinylene carbonate 554.7
    1,1,2-trichlorotrifluoroethane 619.34
    DMS 312.9
    cumene 127.88
    2-octanol 119.82
    2-hexanone 494.63
    octyl acetate 169.69
    limonene 225.32
    1,2-dimethoxyethane 1018.78
    ethyl orthosilicate 149.89
    tributyl phosphate 122.07
    diacetone alcohol 528.44
    N,N-dimethylaniline 208.19
    acrylonitrile 945.88
    aniline 713.08
    1,3-propanediol 706.39
    bromobenzene 675.07
    dibromomethane 1463.51
    1,1,2,2-tetrachloroethane 1480.24
    2-methyl-cyclohexyl acetate 265.44
    tetrabutyl urea 133.45
    diisobutyl methanol 203.22
    2-phenylethanol 404.65
    styrene 287.91
    dioctyl adipate 195.45
    dimethyl sulfate 195.63
    ethyl butyrate 526.68
    methyl lactate 228.19
    butyl lactate 213.84
    diethyl carbonate 296.95
    propanediol butyl ether 326.1
    triethyl orthoformate 294.74
    p-tert-butyltoluene 142.14
    methyl 4-tert-butylbenzoate 251.18
    morpholine 2885.44
    tert-butylamine 826.17
    n-dodecanol 84.33
    dimethoxymethane 799.57
    ethylene carbonate 519.76
    cyrene 219.13
    2-ethoxyethyl acetate 511.88
    2-ethylhexyl acetate 464.8
    1,2,4-trichlorobenzene 491.06
    4-methylpyridine 1220.03
    dibutyl ether 310.19
    2,6-dimethyl-4-heptanol 203.22
    DEF 686.11
    dimethyl isosorbide 550.93
    tetrachloroethylene 900.39
    eugenol 237.16
    triacetin 341.89
    span 80 289.63
    1,4-butanediol 163.32
    1,1-dichloroethane 1621.22
    2-methyl-1-pentanol 332.25
    methyl formate 360.77
    2-methyl-1-butanol 617.86
    n-decane 24.8
    butyronitrile 1180.51
    3,7-dimethyl-1-octanol 203.41
    1-chlorooctane 123.94
    1-chlorotetradecane 46.58
    n-nonane 23.79
    undecane 17.54
    tert-butylcyclohexane 46.0
    cyclooctane 47.25
    cyclopentanol 679.36
    tetrahydropyran 2479.68
    tert-amyl methyl ether 445.3
    2,5,8-trioxanonane 617.0
    1-hexene 281.79
    2-isopropoxyethanol 383.04
    2,2,2-trifluoroethanol 159.95
    methyl butyrate 570.26

    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