Cyclohexanol, 2-methyl-5-(1-methylethyl)-, acetate, (1alpha,2beta,5alpha)-

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  • Identifiers

    CAS number
    5256-66-6

    Molecular formula
    C12H22O2

    SMILES
    C[C@@H]1CC[C@H](C[C@H]1OC(=O)C)C(C)C

    Retention indicies (RI)

    • DB5: 1351.0

  • Odor profile

    Fruity 83.86%
    Herbal 78.36%
    Sweet 74.3%
    Floral 70.02%
    Mint 66.11%
    Woody 58.74%
    Fresh 54.58%
    Cooling 43.16%
    Camphoreous 42.41%
    Spicy 42.36%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    232°C

    Flash point est.
    97.99 ˚C

  • Synonyms

    • 5256-66-6
    • Neocarvomenthyl acetate
    • DTXSID701158049
    • EINECS 226-058-9
    • Cyclohexanol, 2-methyl-5-(1-methylethyl)-, acetate, (1alpha,2beta,5alpha)-
    • AI3-03437
    • NS00122439
    • Cyclohexanol, 2-methyl-5-(1-methylethyl)-, 1-acetate, (1R,2R,5R)-rel-

  • Applications

    Cyclohexanol, 2-methyl-5-(1-methylethyl)-, acetate, (1alpha,2beta,5alpha)- (CAS 5256-66-6) is a fragrance/flavor ester with minty-cool, sweet fruity and slightly woody facets, used to build, round and soften notes in fine fragrances, personal care (shampoos, body washes, deodorants), soaps and detergents, home care, air care and candles; in foods and beverages it serves as a flavoring for confectionery, chewing gum, ice cream, mint profiles and fruit–herbal accords, and in oral-care flavors for toothpastes and mouthwashes to impart a fresh, pleasant sensation; its moderate volatility and good formulation stability enable it to act as a modifier/fixative, background odor masker and profile smoother, and it also serves as a convenient intermediate for synthesizing or transesterifying to other menthyl derivatives or regenerating the corresponding alcohol, with broad compatibility across common solvent and surfactant systems for easy incorporation into diverse consumer products.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1388.49
    methanol 1438.17
    isopropanol 1482.74
    water 1.09
    ethyl acetate 904.88
    n-propanol 1256.62
    acetone 1064.6
    n-butanol 1101.62
    acetonitrile 826.04
    DMF 951.85
    toluene 663.78
    isobutanol 970.34
    1,4-dioxane 1734.61
    methyl acetate 776.77
    THF 1973.58
    2-butanone 964.23
    n-pentanol 702.12
    sec-butanol 1070.39
    n-hexane 183.79
    ethylene glycol 150.83
    NMP 770.11
    cyclohexane 283.59
    DMSO 823.41
    n-butyl acetate 847.83
    n-octanol 323.1
    chloroform 2984.61
    n-propyl acetate 484.21
    acetic acid 677.8
    dichloromethane 1914.28
    cyclohexanone 1314.53
    propylene glycol 332.12
    isopropyl acetate 638.26
    DMAc 743.67
    2-ethoxyethanol 568.76
    isopentanol 1001.77
    n-heptane 59.0
    ethyl formate 509.71
    1,2-dichloroethane 1118.56
    n-hexanol 943.92
    2-methoxyethanol 968.93
    isobutyl acetate 389.58
    tetrachloromethane 514.58
    n-pentyl acetate 434.48
    transcutol 1726.09
    n-heptanol 340.79
    ethylbenzene 335.5
    MIBK 504.64
    2-propoxyethanol 928.65
    tert-butanol 1496.18
    MTBE 1277.96
    2-butoxyethanol 489.42
    propionic acid 663.53
    o-xylene 396.88
    formic acid 189.25
    diethyl ether 989.32
    m-xylene 436.38
    p-xylene 439.55
    chlorobenzene 826.29
    dimethyl carbonate 174.22
    n-octane 28.73
    formamide 232.89
    cyclopentanone 1238.66
    2-pentanone 769.9
    anisole 524.68
    cyclopentyl methyl ether 847.28
    gamma-butyrolactone 1186.07
    1-methoxy-2-propanol 840.84
    pyridine 1203.45
    3-pentanone 499.07
    furfural 994.41
    n-dodecane 22.17
    diethylene glycol 518.73
    diisopropyl ether 298.31
    tert-amyl alcohol 1082.65
    acetylacetone 670.17
    n-hexadecane 26.72
    acetophenone 436.7
    methyl propionate 510.09
    isopentyl acetate 757.36
    trichloroethylene 1943.49
    n-nonanol 271.73
    cyclohexanol 989.34
    benzyl alcohol 454.38
    2-ethylhexanol 448.23
    isooctanol 280.18
    dipropyl ether 391.23
    1,2-dichlorobenzene 642.57
    ethyl lactate 208.8
    propylene carbonate 719.85
    n-methylformamide 489.38
    2-pentanol 769.35
    n-pentane 148.53
    1-propoxy-2-propanol 693.8
    1-methoxy-2-propyl acetate 584.43
    2-(2-methoxypropoxy) propanol 421.31
    mesitylene 272.76
    ε-caprolactone 1116.92
    p-cymene 193.62
    epichlorohydrin 1291.6
    1,1,1-trichloroethane 1411.06
    2-aminoethanol 430.59
    morpholine-4-carbaldehyde 887.14
    sulfolane 1000.08
    2,2,4-trimethylpentane 78.52
    2-methyltetrahydrofuran 1549.98
    n-hexyl acetate 596.35
    isooctane 60.91
    2-(2-butoxyethoxy)ethanol 600.92
    sec-butyl acetate 404.61
    tert-butyl acetate 583.38
    decalin 110.44
    glycerin 322.93
    diglyme 943.53
    acrylic acid 458.14
    isopropyl myristate 206.18
    n-butyric acid 1048.16
    acetyl acetate 483.82
    di(2-ethylhexyl) phthalate 214.68
    ethyl propionate 390.72
    nitromethane 758.93
    1,2-diethoxyethane 666.78
    benzonitrile 701.73
    trioctyl phosphate 153.14
    1-bromopropane 938.31
    gamma-valerolactone 1407.5
    n-decanol 190.24
    triethyl phosphate 171.88
    4-methyl-2-pentanol 442.77
    propionitrile 817.45
    vinylene carbonate 629.58
    1,1,2-trichlorotrifluoroethane 806.65
    DMS 371.06
    cumene 231.65
    2-octanol 244.76
    2-hexanone 559.44
    octyl acetate 260.15
    limonene 288.04
    1,2-dimethoxyethane 1027.93
    ethyl orthosilicate 181.48
    tributyl phosphate 193.29
    diacetone alcohol 588.02
    N,N-dimethylaniline 324.01
    acrylonitrile 745.67
    aniline 733.57
    1,3-propanediol 646.31
    bromobenzene 902.4
    dibromomethane 1499.74
    1,1,2,2-tetrachloroethane 1852.99
    2-methyl-cyclohexyl acetate 336.79
    tetrabutyl urea 211.03
    diisobutyl methanol 233.07
    2-phenylethanol 516.94
    styrene 412.36
    dioctyl adipate 271.07
    dimethyl sulfate 251.04
    ethyl butyrate 414.44
    methyl lactate 253.52
    butyl lactate 348.0
    diethyl carbonate 255.75
    propanediol butyl ether 499.89
    triethyl orthoformate 277.55
    p-tert-butyltoluene 190.23
    methyl 4-tert-butylbenzoate 362.16
    morpholine 2007.61
    tert-butylamine 1019.07
    n-dodecanol 136.98
    dimethoxymethane 550.7
    ethylene carbonate 597.07
    cyrene 329.54
    2-ethoxyethyl acetate 503.26
    2-ethylhexyl acetate 565.73
    1,2,4-trichlorobenzene 739.08
    4-methylpyridine 1228.79
    dibutyl ether 359.85
    2,6-dimethyl-4-heptanol 233.07
    DEF 671.65
    dimethyl isosorbide 598.05
    tetrachloroethylene 1176.49
    eugenol 370.46
    triacetin 442.44
    span 80 418.5
    1,4-butanediol 245.05
    1,1-dichloroethane 1574.64
    2-methyl-1-pentanol 622.95
    methyl formate 340.69
    2-methyl-1-butanol 846.53
    n-decane 42.75
    butyronitrile 947.6
    3,7-dimethyl-1-octanol 357.45
    1-chlorooctane 217.95
    1-chlorotetradecane 76.0
    n-nonane 41.78
    undecane 29.59
    tert-butylcyclohexane 104.39
    cyclooctane 74.49
    cyclopentanol 975.81
    tetrahydropyran 1857.65
    tert-amyl methyl ether 713.06
    2,5,8-trioxanonane 580.6
    1-hexene 615.13
    2-isopropoxyethanol 457.12
    2,2,2-trifluoroethanol 217.25
    methyl butyrate 563.91

    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
Homalomena aromatica rhizome (Vietnam) Homalomena aromatica Schott. (Calla aromatica), fam. Araceae 0.6%
Sage, ssp. altissima (Cuba) Salvia officinalis L. ssp. altissima, fam. Lamiaceae (Labiatae) 0.1%