3,5-Dimethyl-3-cyclohexene carboxaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68039-48-5

    Molecular formula
    C9H14O

    SMILES
    CC1CC(CC(=C1)C)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 88.62%
    Aldehydic 60.99%
    Leafy 48.93%
    Herbal 46.89%
    Fresh 44.32%
    Floral 44.22%
    Citrus 43.2%
    Cortex 38.9%
    Ozone 33.55%
    Muguet 27.49%

     

    Flavor
    Spicy 43.02%
    Spice 41.07%
    Fruity 39.62%
    Sweet 38.46%
    Minty 37.77%
    Herbal 37.33%
    Mint 34.35%
    Woody 31.57%
    Green 29.67%
    Fresh 29.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.03 (weak base)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    193°C

    Flash point

    • 74.42 ˚C est.

  • Synonyms

    • 68039-48-5
    • 3,5-Dimethylcyclohex-3-ene-1-carbaldehyde
    • 3,5-ivy carbaldehyde
    • 5-Formyl-1,3-dimethylcyclohex-1-ene
    • 3,5-Dimethyl-3-cyclohexene carboxaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 3,5-dimethyl-
    • 3,5-Dimethyl-3-cyclohexenecarboxaldehyde
    • AGRUMEN ALDEHYDE
    • EINECS 268-263-6
    • NSC-48084
    • 40636QR86E
    • DTXSID4052390
    • NSC 48084
    • FEMA NO. 4505, 3,5-DIMETHYL-
    • 3,5-dimethyl-3-cyclohexene-1-carboxaldehyde
    • 3,5-DIMETHYL-3-CYCLOHEXENYLCARBALDEHYDE
    • 3,5-DIMETHYLCYCLOHEX-3-ENECARBOXALDEHYDE
    • (+/-)-3,5-DIMETHYL-3-CYCLOHEXENE CARBOXALDEHYDE
    • 3,5-DIMETHYL-3-CYCLOHEXENE CARBOXALDEHYDE, (+/-)-
    • UNII-40636QR86E
    • NSC48084
    • SCHEMBL454727
    • DTXCID4030962
    • 3-Cyclohexene-1-carboxaldehyde,5-dimethyl-
    • 3,5-Dimethyl-3-cyclohexen-1-carboxaldehyde
    • NS00012276
    • 3,5-dimethyl-cyclohex-3-ene-1-carboxaldehyde
    • EN300-175908
    • Q27258292
    • 268-263-6

  • Applications

    3,5-Dimethyl-3-cyclohexene carboxaldehyde (CAS 68039-48-5) is commonly evaluated as an aroma compound for perfumery and fragrances; it may also be used in cosmetics and personal care as a fragrance ingredient; it can be employed in household products as an odorant; it may serve as an intermediate in industrial manufacturing and fragrance chemistry; in coatings and inks, it can function as a fragrance additive or scent-bearing component; in polymers and plastics, it may act as a building block or supporting intermediate for fragrance-related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 780.52
    methanol 971.61
    isopropanol 515.83
    water 1.17
    ethyl acetate 566.57
    n-propanol 551.3
    acetone 531.63
    n-butanol 510.42
    acetonitrile 499.29
    DMF 476.95
    toluene 313.16
    isobutanol 342.61
    1,4-dioxane 856.01
    methyl acetate 417.64
    THF 965.52
    2-butanone 446.47
    n-pentanol 275.56
    sec-butanol 304.66
    n-hexane 55.63
    ethylene glycol 129.78
    NMP 338.82
    cyclohexane 78.16
    DMSO 358.95
    n-butyl acetate 495.32
    n-octanol 152.33
    chloroform 1207.82
    n-propyl acetate 234.06
    acetic acid 429.65
    dichloromethane 901.16
    cyclohexanone 519.56
    propylene glycol 142.22
    isopropyl acetate 297.56
    DMAc 259.54
    2-ethoxyethanol 324.88
    isopentanol 391.11
    n-heptane 49.02
    ethyl formate 294.01
    1,2-dichloroethane 541.62
    n-hexanol 535.79
    2-methoxyethanol 618.3
    isobutyl acetate 164.31
    tetrachloromethane 192.99
    n-pentyl acetate 189.13
    transcutol 1456.66
    n-heptanol 165.01
    ethylbenzene 118.07
    MIBK 247.77
    2-propoxyethanol 720.56
    tert-butanol 464.59
    MTBE 402.15
    2-butoxyethanol 295.24
    propionic acid 332.29
    o-xylene 141.13
    formic acid 168.41
    diethyl ether 572.97
    m-xylene 205.39
    p-xylene 125.62
    chlorobenzene 340.09
    dimethyl carbonate 114.1
    n-octane 17.18
    formamide 169.18
    cyclopentanone 539.73
    2-pentanone 421.21
    anisole 237.34
    cyclopentyl methyl ether 426.69
    gamma-butyrolactone 562.92
    1-methoxy-2-propanol 442.35
    pyridine 547.61
    3-pentanone 253.35
    furfural 488.44
    n-dodecane 13.87
    diethylene glycol 438.59
    diisopropyl ether 139.22
    tert-amyl alcohol 262.32
    acetylacetone 354.67
    n-hexadecane 15.94
    acetophenone 182.66
    methyl propionate 310.02
    isopentyl acetate 367.57
    trichloroethylene 937.62
    n-nonanol 123.94
    cyclohexanol 306.53
    benzyl alcohol 193.5
    2-ethylhexanol 229.83
    isooctanol 120.72
    dipropyl ether 270.55
    1,2-dichlorobenzene 248.76
    ethyl lactate 108.75
    propylene carbonate 302.28
    n-methylformamide 314.44
    2-pentanol 282.2
    n-pentane 64.03
    1-propoxy-2-propanol 448.88
    1-methoxy-2-propyl acetate 377.28
    2-(2-methoxypropoxy) propanol 242.24
    mesitylene 118.34
    ε-caprolactone 433.6
    p-cymene 91.29
    epichlorohydrin 696.48
    1,1,1-trichloroethane 531.61
    2-aminoethanol 262.79
    morpholine-4-carbaldehyde 492.23
    sulfolane 423.21
    2,2,4-trimethylpentane 27.39
    2-methyltetrahydrofuran 646.12
    n-hexyl acetate 266.59
    isooctane 29.74
    2-(2-butoxyethoxy)ethanol 377.92
    sec-butyl acetate 167.61
    tert-butyl acetate 275.22
    decalin 35.65
    glycerin 179.82
    diglyme 607.16
    acrylic acid 247.46
    isopropyl myristate 96.84
    n-butyric acid 496.55
    acetyl acetate 259.28
    di(2-ethylhexyl) phthalate 97.57
    ethyl propionate 190.59
    nitromethane 513.0
    1,2-diethoxyethane 500.7
    benzonitrile 299.74
    trioctyl phosphate 70.21
    1-bromopropane 413.25
    gamma-valerolactone 692.89
    n-decanol 89.25
    triethyl phosphate 86.17
    4-methyl-2-pentanol 160.76
    propionitrile 427.75
    vinylene carbonate 295.19
    1,1,2-trichlorotrifluoroethane 368.28
    DMS 187.06
    cumene 80.63
    2-octanol 95.57
    2-hexanone 258.07
    octyl acetate 120.63
    limonene 130.76
    1,2-dimethoxyethane 477.17
    ethyl orthosilicate 93.64
    tributyl phosphate 89.72
    diacetone alcohol 281.77
    N,N-dimethylaniline 130.94
    acrylonitrile 409.88
    aniline 297.76
    1,3-propanediol 369.77
    bromobenzene 349.92
    dibromomethane 640.82
    1,1,2,2-tetrachloroethane 607.21
    2-methyl-cyclohexyl acetate 162.41
    tetrabutyl urea 100.98
    diisobutyl methanol 125.84
    2-phenylethanol 281.44
    styrene 150.17
    dioctyl adipate 121.82
    dimethyl sulfate 129.66
    ethyl butyrate 236.9
    methyl lactate 130.73
    butyl lactate 144.64
    diethyl carbonate 137.69
    propanediol butyl ether 233.75
    triethyl orthoformate 156.15
    p-tert-butyltoluene 91.9
    methyl 4-tert-butylbenzoate 162.89
    morpholine 912.71
    tert-butylamine 302.3
    n-dodecanol 67.26
    dimethoxymethane 393.36
    ethylene carbonate 254.56
    cyrene 157.53
    2-ethoxyethyl acetate 300.7
    2-ethylhexyl acetate 270.62
    1,2,4-trichlorobenzene 281.72
    4-methylpyridine 502.47
    dibutyl ether 187.21
    2,6-dimethyl-4-heptanol 125.84
    DEF 317.71
    dimethyl isosorbide 346.26
    tetrachloroethylene 439.67
    eugenol 176.73
    triacetin 200.56
    span 80 200.22
    1,4-butanediol 124.68
    1,1-dichloroethane 638.75
    2-methyl-1-pentanol 216.62
    methyl formate 225.56
    2-methyl-1-butanol 300.01
    n-decane 23.99
    butyronitrile 509.22
    3,7-dimethyl-1-octanol 161.37
    1-chlorooctane 102.77
    1-chlorotetradecane 39.86
    n-nonane 23.42
    undecane 17.53
    tert-butylcyclohexane 36.42
    cyclooctane 28.91
    cyclopentanol 292.66
    tetrahydropyran 810.69
    tert-amyl methyl ether 233.51
    2,5,8-trioxanonane 378.83
    1-hexene 198.86
    2-isopropoxyethanol 239.09
    2,2,2-trifluoroethanol 125.2
    methyl butyrate 238.74

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.45 % Category 7A
Rinse-off products applied to the hair with some hand contact
 5.2 %
Category 2
Products applied to the axillae
 0.14 % Category 7B
Leave-on products applied to the hair with some hand contact
 5.2 %
Category 3
Products applied to the face/body using fingertips
 2.7 % Category 8
Products with significant anogenital exposure
 0.27 %
Category 4
Products related to fine fragrance
 2.5 % Category 9
Products with body and hand exposure, primarily rinse off
 4.9 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.64 % Category 10A
Household care products with mostly hand contact
 18 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.64 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 18 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.64 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 9.8 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.64 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 9.8 %
Category 6
Products with oral and lip exposure
 1.5 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction