2,6-Dimethylcyclohexanone

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  • Identifiers

    CAS number
    2816-57-1

    Molecular formula
    C8H14O

    SMILES
    CC1CCCC(C1=O)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 994.0

  • Odor profile

    Mint 59.78%
    Herbal 53.16%
    Camphoreous 43.87%
    Ketonic 41.3%
    Earthy 33.24%
    Musty 33.19%
    Woody 31.92%
    Cooling 31.18%
    Fresh 30.66%
    Tobacco 30.6%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.97 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    175°C

    Flash point est.
    48.34 ˚C

  • Synonyms

    • 2,6-DIMETHYLCYCLOHEXANONE
    • 2816-57-1
    • 2,6-Dimethylcyclohexan-1-one
    • Cyclohexanone, 2,6-dimethyl-
    • NSC 5291
    • EINECS 220-570-6
    • MFCD00001637
    • 2,6-dimethyl cyclohexanone
    • 2,6-Dimethylcyclohexanone,c&t
    • DTXSID30863029
    • 2,6-Dimethylcyclohexanone cis + trans
    • NSC5291
    • Cyclohexanone,6-dimethyl-
    • 2,6-dimethyl-cyclohexanone
    • SCHEMBL83778
    • 2,6-dimethyl-cyclohexan-1-one
    • DTXCID80811712
    • NSC-5291
    • Cyclohexanone, 2,6-dimethyl-(8CI)
    • AKOS000120707
    • 2,6-Dimethylcyclohexanone, cis + trans
    • LS-13474
    • SY048427
    • Cyclohexanone, 2,6-dimethyl-(8CI)(9CI)
    • DB-067889
    • CS-0215006
    • D1280
    • NS00048735
    • EN300-21337
    • 2,6-Dimethyl cyclohexanone, mixture of isomers
    • D89826
    • 2,6-Dimethyl cyclohexanone mixture of cis and trans
    • F8881-2085
    • 220-570-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 755.33
    methanol 1189.65
    isopropanol 477.38
    water 3.54
    ethyl acetate 637.61
    n-propanol 550.69
    acetone 781.57
    n-butanol 527.77
    acetonitrile 1015.77
    DMF 586.48
    toluene 405.03
    isobutanol 411.08
    1,4-dioxane 1065.79
    methyl acetate 635.17
    THF 1296.4
    2-butanone 625.62
    n-pentanol 364.18
    sec-butanol 380.05
    n-hexane 147.87
    ethylene glycol 105.49
    NMP 704.56
    cyclohexane 173.35
    DMSO 482.99
    n-butyl acetate 844.57
    n-octanol 260.84
    chloroform 3138.41
    n-propyl acetate 496.76
    acetic acid 813.18
    dichloromethane 2383.32
    cyclohexanone 1001.15
    propylene glycol 116.34
    isopropyl acetate 428.43
    DMAc 400.47
    2-ethoxyethanol 424.16
    isopentanol 481.13
    n-heptane 97.82
    ethyl formate 533.87
    1,2-dichloroethane 1181.73
    n-hexanol 471.15
    2-methoxyethanol 613.18
    isobutyl acetate 334.05
    tetrachloromethane 706.54
    n-pentyl acetate 546.31
    transcutol 1834.7
    n-heptanol 276.05
    ethylbenzene 243.1
    MIBK 363.86
    2-propoxyethanol 634.19
    tert-butanol 538.94
    MTBE 506.7
    2-butoxyethanol 466.99
    propionic acid 574.2
    o-xylene 260.62
    formic acid 316.71
    diethyl ether 608.74
    m-xylene 277.41
    p-xylene 347.67
    chlorobenzene 881.97
    dimethyl carbonate 157.6
    n-octane 46.87
    formamide 384.75
    cyclopentanone 1133.43
    2-pentanone 511.9
    anisole 442.99
    cyclopentyl methyl ether 559.99
    gamma-butyrolactone 1340.11
    1-methoxy-2-propanol 389.09
    pyridine 1124.69
    3-pentanone 392.98
    furfural 1288.78
    n-dodecane 30.92
    diethylene glycol 362.22
    diisopropyl ether 212.39
    tert-amyl alcohol 413.32
    acetylacetone 545.59
    n-hexadecane 35.89
    acetophenone 411.85
    methyl propionate 385.68
    isopentyl acetate 697.49
    trichloroethylene 2237.21
    n-nonanol 226.49
    cyclohexanol 430.0
    benzyl alcohol 354.14
    2-ethylhexanol 315.42
    isooctanol 234.85
    dipropyl ether 396.76
    1,2-dichlorobenzene 807.31
    ethyl lactate 172.6
    propylene carbonate 736.27
    n-methylformamide 569.78
    2-pentanol 327.2
    n-pentane 118.57
    1-propoxy-2-propanol 479.23
    1-methoxy-2-propyl acetate 493.12
    2-(2-methoxypropoxy) propanol 356.28
    mesitylene 200.54
    ε-caprolactone 899.62
    p-cymene 204.82
    epichlorohydrin 1312.11
    1,1,1-trichloroethane 1399.88
    2-aminoethanol 252.8
    morpholine-4-carbaldehyde 804.12
    sulfolane 1095.15
    2,2,4-trimethylpentane 63.59
    2-methyltetrahydrofuran 910.95
    n-hexyl acetate 637.91
    isooctane 57.85
    2-(2-butoxyethoxy)ethanol 520.23
    sec-butyl acetate 328.79
    tert-butyl acetate 430.18
    decalin 90.24
    glycerin 165.98
    diglyme 975.6
    acrylic acid 508.69
    isopropyl myristate 202.71
    n-butyric acid 840.38
    acetyl acetate 456.92
    di(2-ethylhexyl) phthalate 192.37
    ethyl propionate 366.3
    nitromethane 1100.37
    1,2-diethoxyethane 809.39
    benzonitrile 844.1
    trioctyl phosphate 136.28
    1-bromopropane 705.58
    gamma-valerolactone 1303.16
    n-decanol 154.86
    triethyl phosphate 187.14
    4-methyl-2-pentanol 220.23
    propionitrile 747.04
    vinylene carbonate 759.83
    1,1,2-trichlorotrifluoroethane 722.66
    DMS 393.22
    cumene 190.61
    2-octanol 196.87
    2-hexanone 494.66
    octyl acetate 256.91
    limonene 255.77
    1,2-dimethoxyethane 752.55
    ethyl orthosilicate 202.79
    tributyl phosphate 198.16
    diacetone alcohol 368.34
    N,N-dimethylaniline 270.06
    acrylonitrile 893.03
    aniline 508.71
    1,3-propanediol 394.43
    bromobenzene 936.04
    dibromomethane 1648.72
    1,1,2,2-tetrachloroethane 1605.58
    2-methyl-cyclohexyl acetate 334.65
    tetrabutyl urea 208.53
    diisobutyl methanol 203.99
    2-phenylethanol 415.39
    styrene 336.28
    dioctyl adipate 262.69
    dimethyl sulfate 224.19
    ethyl butyrate 493.93
    methyl lactate 165.17
    butyl lactate 331.79
    diethyl carbonate 317.73
    propanediol butyl ether 346.24
    triethyl orthoformate 330.56
    p-tert-butyltoluene 189.97
    methyl 4-tert-butylbenzoate 338.99
    morpholine 1000.3
    tert-butylamine 429.53
    n-dodecanol 110.23
    dimethoxymethane 391.98
    ethylene carbonate 638.13
    cyrene 256.16
    2-ethoxyethyl acetate 613.29
    2-ethylhexyl acetate 530.05
    1,2,4-trichlorobenzene 791.3
    4-methylpyridine 1009.27
    dibutyl ether 409.16
    2,6-dimethyl-4-heptanol 203.99
    DEF 488.62
    dimethyl isosorbide 582.06
    tetrachloroethylene 1349.17
    eugenol 342.48
    triacetin 438.52
    span 80 313.42
    1,4-butanediol 167.24
    1,1-dichloroethane 1269.52
    2-methyl-1-pentanol 349.72
    methyl formate 411.36
    2-methyl-1-butanol 400.35
    n-decane 60.27
    butyronitrile 797.01
    3,7-dimethyl-1-octanol 284.6
    1-chlorooctane 229.72
    1-chlorotetradecane 78.32
    n-nonane 60.69
    undecane 41.38
    tert-butylcyclohexane 93.31
    cyclooctane 63.9
    cyclopentanol 491.47
    tetrahydropyran 889.25
    tert-amyl methyl ether 339.75
    2,5,8-trioxanonane 549.0
    1-hexene 352.35
    2-isopropoxyethanol 320.2
    2,2,2-trifluoroethanol 290.89
    methyl butyrate 508.8

    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
Nepeta persica (Iran) Nepeta persica Boiss, fam. Lamiaceae (Labiatae) 0.9%