alpha-Cyclocitral

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  • Identifiers

    CAS number
    432-24-6

    Molecular formula
    C10H16O

    SMILES
    CC1=CCCC(C1C=O)(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Herbal 77.99%
    Floral 62.78%
    Woody 57.05%
    Citrus 52.65%
    Green 49.95%
    Spicy 47.17%
    Mint 45.35%
    Fresh 42.72%
    Camphoreous 36.93%
    Tobacco 34.97%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 196.00 to 197.00 °C. @ 760.00 mm Hg

    Flash point est.
    89.94 ˚C

  • Synonyms

    • alpha-Cyclocitral
    • 432-24-6
    • alpha-cyclociral
    • 2,6,6-Trimethylcyclohex-2-ene-1-carbaldehyde
    • 2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-
    • a-Cyclocitral
    • .alpha.-Cyclocitral
    • 2,6,6-Trimethyl-2-cyclohexen-1-carboxaldehyde
    • Filipendulal
    • 1-Formyl-2,6,6-trimethyl-2-cyclohexene
    • alpha -cyclocitral
    • 2,6,6-Trimethyl-2-cyclohexene-1-carboxaldehyde
    • 762EWR23N8
    • EINECS 207-080-8
    • AI3-37230
    • CYCLOCITRAL, .ALPHA.-
    • 2,6,6-Trimethyl-cyclohex-2-enecarbaldehyde
    • 2,6,6-Trimethyl-2-cyclohexene-1-carbaldehyde
    • DTXSID60861932
    • (+/-)-.ALPHA.-CYCLOCITRAL
    • FEMA NO. 3639, .ALPHA.-
    • .ALPHA.-CYCLOCITRAL, (+/-)-
    • 2,6,6-Trimethylcyclohex-2-en-1-carboxaldehyde
    • UNII-762EWR23N8
    • CYCLOCITRAL, ALPHA-
    • alpha-cyclociral, AldrichCPR
    • 59462-59-8
    • SCHEMBL1782746
    • DTXCID00810782
    • CHEBI:171968
    • (+/-)-ALPHA-CYCLOCITRAL
    • FEMA NO. 3639, ALPHA-
    • ALPHA-CYCLOCITRAL, (+/-)-
    • AKOS006327717
    • FC20686
    • 2,6,6-trimethylcyclohex-2-enecarbaldehyde
    • DB-302490
    • CS-0435919
    • NS00013265
    • F77896
    • 2,6,6-trimethyl-cyclohex-2-ene-1-carbaldehyde
    • 2,6,6-Trimethyl-2-cyclohexene-1-carbaldehyde #
    • Q27266437
    • 207-080-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 540.26
    methanol 607.41
    isopropanol 396.26
    water 1.54
    ethyl acetate 661.49
    n-propanol 467.08
    acetone 594.62
    n-butanol 408.2
    acetonitrile 798.22
    DMF 486.58
    toluene 450.03
    isobutanol 290.32
    1,4-dioxane 1384.03
    methyl acetate 609.04
    THF 1616.84
    2-butanone 567.13
    n-pentanol 215.95
    sec-butanol 309.69
    n-hexane 101.48
    ethylene glycol 72.43
    NMP 619.35
    cyclohexane 229.58
    DMSO 342.01
    n-butyl acetate 483.04
    n-octanol 160.22
    chloroform 1507.04
    n-propyl acetate 285.34
    acetic acid 431.98
    dichloromethane 1136.57
    cyclohexanone 890.54
    propylene glycol 94.23
    isopropyl acetate 352.27
    DMAc 275.04
    2-ethoxyethanol 253.89
    isopentanol 297.71
    n-heptane 85.88
    ethyl formate 344.32
    1,2-dichloroethane 747.52
    n-hexanol 499.34
    2-methoxyethanol 483.78
    isobutyl acetate 181.03
    tetrachloromethane 309.48
    n-pentyl acetate 219.44
    transcutol 1185.79
    n-heptanol 175.6
    ethylbenzene 180.39
    MIBK 276.21
    2-propoxyethanol 590.69
    tert-butanol 423.28
    MTBE 451.44
    2-butoxyethanol 263.2
    propionic acid 380.73
    o-xylene 226.38
    formic acid 174.4
    diethyl ether 716.0
    m-xylene 293.3
    p-xylene 214.99
    chlorobenzene 520.55
    dimethyl carbonate 163.84
    n-octane 29.02
    formamide 211.55
    cyclopentanone 937.18
    2-pentanone 491.39
    anisole 297.55
    cyclopentyl methyl ether 723.24
    gamma-butyrolactone 1104.21
    1-methoxy-2-propanol 386.7
    pyridine 751.36
    3-pentanone 373.49
    furfural 665.39
    n-dodecane 19.05
    diethylene glycol 334.91
    diisopropyl ether 208.94
    tert-amyl alcohol 276.36
    acetylacetone 423.68
    n-hexadecane 22.62
    acetophenone 223.05
    methyl propionate 426.24
    isopentyl acetate 391.6
    trichloroethylene 1255.85
    n-nonanol 135.05
    cyclohexanol 462.28
    benzyl alcohol 196.66
    2-ethylhexanol 249.89
    isooctanol 134.24
    dipropyl ether 319.2
    1,2-dichlorobenzene 399.64
    ethyl lactate 116.03
    propylene carbonate 504.56
    n-methylformamide 376.32
    2-pentanol 273.1
    n-pentane 116.82
    1-propoxy-2-propanol 416.39
    1-methoxy-2-propyl acetate 445.14
    2-(2-methoxypropoxy) propanol 239.1
    mesitylene 183.16
    ε-caprolactone 716.66
    p-cymene 125.94
    epichlorohydrin 1020.99
    1,1,1-trichloroethane 863.48
    2-aminoethanol 176.44
    morpholine-4-carbaldehyde 624.23
    sulfolane 718.31
    2,2,4-trimethylpentane 43.5
    2-methyltetrahydrofuran 1127.75
    n-hexyl acetate 338.14
    isooctane 45.81
    2-(2-butoxyethoxy)ethanol 352.04
    sec-butyl acetate 206.36
    tert-butyl acetate 356.73
    decalin 70.66
    glycerin 127.52
    diglyme 597.95
    acrylic acid 306.56
    isopropyl myristate 122.64
    n-butyric acid 496.3
    acetyl acetate 354.79
    di(2-ethylhexyl) phthalate 104.75
    ethyl propionate 262.02
    nitromethane 694.23
    1,2-diethoxyethane 479.64
    benzonitrile 371.45
    trioctyl phosphate 79.27
    1-bromopropane 566.22
    gamma-valerolactone 1008.44
    n-decanol 99.5
    triethyl phosphate 113.41
    4-methyl-2-pentanol 161.45
    propionitrile 596.3
    vinylene carbonate 458.53
    1,1,2-trichlorotrifluoroethane 411.88
    DMS 272.25
    cumene 113.9
    2-octanol 110.52
    2-hexanone 288.66
    octyl acetate 151.73
    limonene 193.81
    1,2-dimethoxyethane 477.65
    ethyl orthosilicate 116.6
    tributyl phosphate 108.26
    diacetone alcohol 318.56
    N,N-dimethylaniline 159.18
    acrylonitrile 583.38
    aniline 408.2
    1,3-propanediol 258.06
    bromobenzene 559.96
    dibromomethane 830.08
    1,1,2,2-tetrachloroethane 864.8
    2-methyl-cyclohexyl acetate 215.13
    tetrabutyl urea 116.86
    diisobutyl methanol 138.71
    2-phenylethanol 301.93
    styrene 208.79
    dioctyl adipate 150.52
    dimethyl sulfate 200.78
    ethyl butyrate 291.73
    methyl lactate 156.34
    butyl lactate 154.39
    diethyl carbonate 185.64
    propanediol butyl ether 196.75
    triethyl orthoformate 196.63
    p-tert-butyltoluene 128.0
    methyl 4-tert-butylbenzoate 212.27
    morpholine 1342.34
    tert-butylamine 312.12
    n-dodecanol 76.93
    dimethoxymethane 447.32
    ethylene carbonate 403.99
    cyrene 178.74
    2-ethoxyethyl acetate 318.73
    2-ethylhexyl acetate 315.5
    1,2,4-trichlorobenzene 431.89
    4-methylpyridine 686.37
    dibutyl ether 218.45
    2,6-dimethyl-4-heptanol 138.71
    DEF 404.02
    dimethyl isosorbide 421.04
    tetrachloroethylene 582.09
    eugenol 194.23
    triacetin 237.77
    span 80 213.46
    1,4-butanediol 79.61
    1,1-dichloroethane 887.4
    2-methyl-1-pentanol 172.6
    methyl formate 305.29
    2-methyl-1-butanol 273.76
    n-decane 34.57
    butyronitrile 598.8
    3,7-dimethyl-1-octanol 163.23
    1-chlorooctane 137.33
    1-chlorotetradecane 51.38
    n-nonane 36.05
    undecane 24.9
    tert-butylcyclohexane 59.88
    cyclooctane 73.66
    cyclopentanol 435.55
    tetrahydropyran 1393.56
    tert-amyl methyl ether 288.82
    2,5,8-trioxanonane 358.48
    1-hexene 255.23
    2-isopropoxyethanol 191.23
    2,2,2-trifluoroethanol 165.41
    methyl butyrate 310.28

    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
Bay, West Indian (Guadeloupe) 1b 8015-73-4 Pimenta racemosa var. racemosa (P. Miller) J.W. Moore, fam. Myrtaceae 0.2%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%