1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-3-oxo-

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  • Identifiers

    CAS number
    18378-66-0

    Molecular formula
    C10H14O2

    SMILES
    CC1=C(C(CCC1=O)(C)C)C=O

  • Odor profile

    Caramellic 59.19%
    Sweet 55.93%
    Tobacco 51.7%
    Mint 47.19%
    Woody 44.18%
    Burnt 39.51%
    Fruity 35.74%
    Hay 34.1%
    Tea 33.59%
    Nutty 32.23%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point est.
    107.38 ˚C

  • Synonyms

    • 1-cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-3-oxo-
    • Oxo-.beta.-cyclocitral
    • 18378-66-0
    • 2,6,6-trimethyl-3-oxocyclohex-1-ene-1-carbaldehyde
    • SCHEMBL10938531
    • DTXSID40349021
    • FRKQOTHZPTXCJI-UHFFFAOYSA-N
    • 2,6,6-trimethyl-3-oxo-1-cyclohexen-1-carboxaldehyde
    • InChI=1/C10H14O2/c1-7-8(6-11)10(2,3)5-4-9(7)12/h6H,4-5H2,1-3H

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.21
    methanol 159.05
    isopropanol 61.63
    water 2.08
    ethyl acetate 129.59
    n-propanol 73.63
    acetone 118.22
    n-butanol 64.33
    acetonitrile 156.48
    DMF 196.91
    toluene 95.41
    isobutanol 39.49
    1,4-dioxane 331.04
    methyl acetate 130.38
    THF 355.53
    2-butanone 107.83
    n-pentanol 34.55
    sec-butanol 37.45
    n-hexane 4.41
    ethylene glycol 27.42
    NMP 140.46
    cyclohexane 8.13
    DMSO 130.28
    n-butyl acetate 93.02
    n-octanol 25.79
    chloroform 403.33
    n-propyl acetate 62.28
    acetic acid 102.11
    dichloromethane 341.02
    cyclohexanone 170.4
    propylene glycol 19.5
    isopropyl acetate 78.78
    DMAc 117.96
    2-ethoxyethanol 77.43
    isopentanol 51.92
    n-heptane 3.81
    ethyl formate 86.58
    1,2-dichloroethane 226.53
    n-hexanol 75.41
    2-methoxyethanol 169.4
    isobutyl acetate 40.31
    tetrachloromethane 59.78
    n-pentyl acetate 47.81
    transcutol 259.4
    n-heptanol 33.02
    ethylbenzene 47.16
    MIBK 65.59
    2-propoxyethanol 151.34
    tert-butanol 87.35
    MTBE 58.56
    2-butoxyethanol 69.65
    propionic acid 73.89
    o-xylene 59.89
    formic acid 72.96
    diethyl ether 93.15
    m-xylene 70.56
    p-xylene 61.87
    chlorobenzene 137.69
    dimethyl carbonate 58.15
    n-octane 2.2
    formamide 113.0
    cyclopentanone 220.1
    2-pentanone 93.7
    anisole 101.47
    cyclopentyl methyl ether 109.59
    gamma-butyrolactone 275.66
    1-methoxy-2-propanol 113.97
    pyridine 194.67
    3-pentanone 78.93
    furfural 234.43
    n-dodecane 1.99
    diethylene glycol 122.43
    diisopropyl ether 26.4
    tert-amyl alcohol 49.69
    acetylacetone 118.83
    n-hexadecane 2.39
    acetophenone 83.57
    methyl propionate 103.64
    isopentyl acetate 80.26
    trichloroethylene 383.92
    n-nonanol 25.38
    cyclohexanol 53.47
    benzyl alcohol 65.16
    2-ethylhexanol 36.47
    isooctanol 27.1
    dipropyl ether 41.99
    1,2-dichlorobenzene 122.63
    ethyl lactate 35.49
    propylene carbonate 126.71
    n-methylformamide 137.64
    2-pentanol 34.87
    n-pentane 4.22
    1-propoxy-2-propanol 85.91
    1-methoxy-2-propyl acetate 106.89
    2-(2-methoxypropoxy) propanol 70.0
    mesitylene 39.64
    ε-caprolactone 145.28
    p-cymene 28.76
    epichlorohydrin 305.39
    1,1,1-trichloroethane 196.24
    2-aminoethanol 51.43
    morpholine-4-carbaldehyde 214.88
    sulfolane 216.54
    2,2,4-trimethylpentane 3.03
    2-methyltetrahydrofuran 155.26
    n-hexyl acetate 65.57
    isooctane 3.49
    2-(2-butoxyethoxy)ethanol 88.07
    sec-butyl acetate 47.01
    tert-butyl acetate 85.23
    decalin 6.99
    glycerin 40.7
    diglyme 167.9
    acrylic acid 72.02
    isopropyl myristate 28.91
    n-butyric acid 100.01
    acetyl acetate 90.75
    di(2-ethylhexyl) phthalate 32.34
    ethyl propionate 66.88
    nitromethane 223.87
    1,2-diethoxyethane 85.37
    benzonitrile 101.66
    trioctyl phosphate 22.5
    1-bromopropane 92.92
    gamma-valerolactone 280.99
    n-decanol 18.59
    triethyl phosphate 39.11
    4-methyl-2-pentanol 27.71
    propionitrile 113.96
    vinylene carbonate 134.22
    1,1,2-trichlorotrifluoroethane 137.87
    DMS 82.97
    cumene 32.56
    2-octanol 19.7
    2-hexanone 58.64
    octyl acetate 34.8
    limonene 33.04
    1,2-dimethoxyethane 161.59
    ethyl orthosilicate 36.96
    tributyl phosphate 28.86
    diacetone alcohol 93.26
    N,N-dimethylaniline 65.53
    acrylonitrile 156.41
    aniline 100.88
    1,3-propanediol 83.06
    bromobenzene 135.11
    dibromomethane 209.28
    1,1,2,2-tetrachloroethane 267.76
    2-methyl-cyclohexyl acetate 57.62
    tetrabutyl urea 37.17
    diisobutyl methanol 25.35
    2-phenylethanol 92.26
    styrene 56.49
    dioctyl adipate 40.28
    dimethyl sulfate 85.41
    ethyl butyrate 63.87
    methyl lactate 49.41
    butyl lactate 40.13
    diethyl carbonate 52.5
    propanediol butyl ether 45.51
    triethyl orthoformate 47.24
    p-tert-butyltoluene 29.24
    methyl 4-tert-butylbenzoate 76.28
    morpholine 284.83
    tert-butylamine 45.77
    n-dodecanol 13.88
    dimethoxymethane 163.76
    ethylene carbonate 113.89
    cyrene 72.84
    2-ethoxyethyl acetate 78.93
    2-ethylhexyl acetate 61.2
    1,2,4-trichlorobenzene 130.61
    4-methylpyridine 173.04
    dibutyl ether 28.82
    2,6-dimethyl-4-heptanol 25.35
    DEF 87.2
    dimethyl isosorbide 143.95
    tetrachloroethylene 186.73
    eugenol 74.05
    triacetin 62.68
    span 80 50.15
    1,4-butanediol 23.15
    1,1-dichloroethane 196.27
    2-methyl-1-pentanol 33.68
    methyl formate 119.47
    2-methyl-1-butanol 37.09
    n-decane 3.43
    butyronitrile 90.73
    3,7-dimethyl-1-octanol 29.18
    1-chlorooctane 19.06
    1-chlorotetradecane 7.78
    n-nonane 2.89
    undecane 2.53
    tert-butylcyclohexane 6.9
    cyclooctane 2.96
    cyclopentanol 60.98
    tetrahydropyran 189.6
    tert-amyl methyl ether 44.28
    2,5,8-trioxanonane 116.06
    1-hexene 20.85
    2-isopropoxyethanol 55.83
    2,2,2-trifluoroethanol 61.84
    methyl butyrate 78.86

    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

Botanical

Name CAS Botanical Proportion
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 0.99%