Cyclohexanone, 2-methyl-5-(1-methylethyl)-

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  • Identifiers

    CAS number
    499-70-7

    Molecular formula
    C10H18O

    SMILES
    CC1CCC(CC1=O)C(C)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1614.0

  • Odor profile

    Herbal 80.4%
    Mint 78.78%
    Camphoreous 66.69%
    Woody 66.34%
    Fresh 59.7%
    Cooling 58.58%
    Green 57.79%
    Spicy 47.24%
    Earthy 40.64%
    Pine 37.38%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 108.00 to 109.00 °C. @ 760.00 mm Hg

    Flash point est.
    76.73 ˚C

  • Synonyms

    • 59471-80-6
    • Carvomenthone
    • Cyclohexanone, 2-methyl-5-(1-methylethyl)-
    • 499-70-7
    • Tetrahydrocarvone
    • p-Menthan-2-one
    • 2-methyl-5-propan-2-ylcyclohexan-1-one
    • 5-Isopropyl-2-methylcyclohexanone
    • 5-Isopropyl-2-methyl-cyclohexanone
    • FEMA 3176
    • 2-Methyl-5-(1-methylethyl)cyclohexanone
    • 2-Methyl-5-(1-methylethyl)-Cyclohexanone
    • AI3-27538
    • DTXSID90862053
    • MFCD06252433
    • NSC 96750
    • (E)-para-menthan-2-one
    • FEMA No. 3176
    • trans-5-Isopropyl-2-methylcyclohexan-1-one
    • P-MENTHAN-2-ONE [FHFI]
    • L-menthanone
    • 2-methyl-5-(propan-2-yl)cyclohexan-1-one
    • trans-5-Isopropyl-2-methylcyclohexanone
    • TETRAHIDROCARVONA
    • SCHEMBL812088
    • DTXCID10220691
    • CHEBI:167371
    • NSC96744
    • NSC96750
    • NSC-96744
    • NSC-96750
    • AKOS005256419
    • DB-053397
    • NS00012752
    • 611-835-0

  • Applications

    Cyclohexanone, 2-methyl-5-(1-methylethyl)- (CAS 499-70-7) is a monoterpene ketone with minty, herbal, slightly camphoraceous notes; widely used as a fragrance ingredient in perfumes, cosmetics, personal care, soaps, detergents, and air-care products; as a flavoring agent for foods, beverages, and confectionery to impart a cool mint-like profile; as an intermediate to produce menthol/isomenthol, menthyl esters, and other p-menthane derivatives, and as a chiral building block in organic synthesis and catalysis research; employed in flavor systems for oral care (toothpaste, mouthwash) and to modulate taste/odor in certain over-the-counter preparations; used as an odor masker/modifier in technical and household formulations; and commonly applied as a reference/standard in GC–MS and sensory studies, with occasional exploration as an insect repellent or semiochemical in pest management.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 557.63
    methanol 396.72
    isopropanol 643.64
    water 1.31
    ethyl acetate 371.73
    n-propanol 489.56
    acetone 388.2
    n-butanol 478.55
    acetonitrile 544.84
    DMF 330.44
    toluene 330.98
    isobutanol 373.93
    1,4-dioxane 864.57
    methyl acetate 392.67
    THF 747.22
    2-butanone 441.34
    n-pentanol 267.46
    sec-butanol 425.26
    n-hexane 58.27
    ethylene glycol 69.83
    NMP 249.44
    cyclohexane 119.1
    DMSO 230.03
    n-butyl acetate 484.22
    n-octanol 228.76
    chloroform 1743.25
    n-propyl acetate 217.17
    acetic acid 321.66
    dichloromethane 1067.23
    cyclohexanone 592.05
    propylene glycol 132.4
    isopropyl acetate 232.1
    DMAc 273.85
    2-ethoxyethanol 251.47
    isopentanol 389.84
    n-heptane 59.02
    ethyl formate 299.46
    1,2-dichloroethane 483.21
    n-hexanol 492.52
    2-methoxyethanol 427.4
    isobutyl acetate 169.78
    tetrachloromethane 286.32
    n-pentyl acetate 254.87
    transcutol 906.61
    n-heptanol 234.77
    ethylbenzene 187.34
    MIBK 197.06
    2-propoxyethanol 491.39
    tert-butanol 596.77
    MTBE 363.94
    2-butoxyethanol 324.47
    propionic acid 324.69
    o-xylene 209.63
    formic acid 84.28
    diethyl ether 327.0
    m-xylene 203.49
    p-xylene 260.47
    chlorobenzene 439.24
    dimethyl carbonate 71.84
    n-octane 27.4
    formamide 121.3
    cyclopentanone 518.64
    2-pentanone 299.39
    anisole 297.24
    cyclopentyl methyl ether 271.57
    gamma-butyrolactone 504.91
    1-methoxy-2-propanol 373.65
    pyridine 841.88
    3-pentanone 198.2
    furfural 586.72
    n-dodecane 24.19
    diethylene glycol 274.79
    diisopropyl ether 104.08
    tert-amyl alcohol 367.73
    acetylacetone 267.7
    n-hexadecane 28.11
    acetophenone 250.54
    methyl propionate 210.13
    isopentyl acetate 420.13
    trichloroethylene 1039.56
    n-nonanol 193.2
    cyclohexanol 382.91
    benzyl alcohol 246.89
    2-ethylhexanol 279.54
    isooctanol 187.87
    dipropyl ether 228.96
    1,2-dichlorobenzene 363.43
    ethyl lactate 106.44
    propylene carbonate 374.58
    n-methylformamide 218.05
    2-pentanol 293.6
    n-pentane 61.38
    1-propoxy-2-propanol 405.97
    1-methoxy-2-propyl acetate 297.97
    2-(2-methoxypropoxy) propanol 262.68
    mesitylene 130.24
    ε-caprolactone 510.44
    p-cymene 154.63
    epichlorohydrin 607.86
    1,1,1-trichloroethane 675.16
    2-aminoethanol 196.72
    morpholine-4-carbaldehyde 432.53
    sulfolane 371.46
    2,2,4-trimethylpentane 34.46
    2-methyltetrahydrofuran 557.4
    n-hexyl acetate 333.95
    isooctane 32.11
    2-(2-butoxyethoxy)ethanol 340.5
    sec-butyl acetate 174.17
    tert-butyl acetate 222.7
    decalin 54.62
    glycerin 141.13
    diglyme 596.7
    acrylic acid 233.35
    isopropyl myristate 133.39
    n-butyric acid 490.17
    acetyl acetate 218.29
    di(2-ethylhexyl) phthalate 135.07
    ethyl propionate 176.77
    nitromethane 423.73
    1,2-diethoxyethane 362.89
    benzonitrile 517.46
    trioctyl phosphate 94.94
    1-bromopropane 415.44
    gamma-valerolactone 714.19
    n-decanol 136.84
    triethyl phosphate 117.21
    4-methyl-2-pentanol 180.69
    propionitrile 483.86
    vinylene carbonate 389.84
    1,1,2-trichlorotrifluoroethane 382.2
    DMS 187.76
    cumene 139.01
    2-octanol 172.62
    2-hexanone 255.2
    octyl acetate 161.08
    limonene 199.37
    1,2-dimethoxyethane 441.36
    ethyl orthosilicate 117.48
    tributyl phosphate 111.25
    diacetone alcohol 248.87
    N,N-dimethylaniline 181.28
    acrylonitrile 516.42
    aniline 368.76
    1,3-propanediol 312.65
    bromobenzene 462.7
    dibromomethane 758.83
    1,1,2,2-tetrachloroethane 820.15
    2-methyl-cyclohexyl acetate 214.8
    tetrabutyl urea 129.6
    diisobutyl methanol 161.41
    2-phenylethanol 323.54
    styrene 223.3
    dioctyl adipate 170.38
    dimethyl sulfate 93.13
    ethyl butyrate 268.02
    methyl lactate 111.87
    butyl lactate 195.09
    diethyl carbonate 182.5
    propanediol butyl ether 270.75
    triethyl orthoformate 192.67
    p-tert-butyltoluene 149.73
    methyl 4-tert-butylbenzoate 236.61
    morpholine 885.52
    tert-butylamine 401.35
    n-dodecanol 104.3
    dimethoxymethane 198.33
    ethylene carbonate 315.8
    cyrene 177.55
    2-ethoxyethyl acetate 289.97
    2-ethylhexyl acetate 325.72
    1,2,4-trichlorobenzene 398.86
    4-methylpyridine 693.75
    dibutyl ether 220.62
    2,6-dimethyl-4-heptanol 161.41
    DEF 247.45
    dimethyl isosorbide 363.55
    tetrachloroethylene 527.88
    eugenol 232.51
    triacetin 253.63
    span 80 255.06
    1,4-butanediol 114.74
    1,1-dichloroethane 725.65
    2-methyl-1-pentanol 244.85
    methyl formate 158.33
    2-methyl-1-butanol 316.95
    n-decane 41.31
    butyronitrile 549.35
    3,7-dimethyl-1-octanol 219.29
    1-chlorooctane 149.32
    1-chlorotetradecane 59.43
    n-nonane 38.33
    undecane 30.59
    tert-butylcyclohexane 52.56
    cyclooctane 36.82
    cyclopentanol 360.07
    tetrahydropyran 780.76
    tert-amyl methyl ether 208.16
    2,5,8-trioxanonane 376.91
    1-hexene 200.72
    2-isopropoxyethanol 207.85
    2,2,2-trifluoroethanol 104.24
    methyl butyrate 248.54

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.0019 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.0019 %
Category 2
Products applied to the axillae
 0.0019 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.0019 %
Category 3
Products applied to the face/body using fingertips
 0.0019 % Category 8
Products with significant anogenital exposure
 0.00064 %
Category 4
Products related to fine fragrance
 1.9 % Category 9
Products with body and hand exposure, primarily rinse off
 0.054 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.079 % Category 10A
Household care products with mostly hand contact
 0.0019 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.0019 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.0019 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.019 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.00064 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.00064 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.00064 %
Category 6
Products with oral and lip exposure
 0.027 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0.0019 %

Botanical

Name CAS Botanical Proportion
Cistus (Spain) 1 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 1.0%
Scullcap Scutellaria lateriflora L., fam. Lamiaceae (Labiatae) 0.05%
Carrot seed (France) 4 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.39%
Carrot seed (France) 3 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.08%
Nepeta cataria 3 (China) 84929-35-1 Nepeta cataria L., fam. Lamiaceae (Labiatae) 0.66%