Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate

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  • Identifiers

    CAS number
    25225-10-9

    Molecular formula
    C12H22O2

    SMILES
    CC(C1CCCC(C1)(C)C)OC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 92.23%
    Floral 72.79%
    Woody 56.69%
    Herbal 50.4%
    Sweet 44.51%
    Rose 42.33%
    Berry 40.54%
    Fresh 38.86%
    Apple 36.13%
    Spicy 32.35%

     

    Flavor
    Sweet 73.18%
    Herbal 67.14%
    Woody 54.79%
    Fruity 47.33%
    Tropical 40.43%
    Citrus 39.8%
    Fruit 35.27%
    Raspberry 35.13%
    Lavender 34.27%
    Mint 34.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.67 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    226°C

    Flash point

    • 101.5 ˚C est.

  • Synonyms

    • 25225-10-9
    • 1-(3,3-dimethylcyclohexyl)ethyl acetate
    • EINECS 246-737-3
    • Cyclohexanemethanol, alpha,3,3-trimethyl-, acetate
    • Cyclohexane-1-methanol, alpha,3,3-trimethyl-, acetate
    • Cyclohexanemethanol, .alpha.,3,3-trimethyl-, acetate
    • Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate
    • CYCLOHEXANE-1-METHANOL, ALPHA, 3,3-TRIMETHYL
    • musk acetate
    • alpha,3,3-Trimethylcyclohexylmethyl acetate
    • SCHEMBL756556
    • DTXSID7051923
    • CYCLOHEXANE-1-METHANOL,ALPHA,3,3-TRIMETHYL:ACETATE
    • YWVSYRJWCROMKO-UHFFFAOYSA-N
    • AKOS006272754
    • DS-019865
    • NS00013280
    • Cyclohexanemethanol, .alpha.,3,3-trimethyl-, 1-acetate
    • Rosamusk

  • Applications

    Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate (CAS 25225-10-9) is an ester used as an intermediate in organic synthesis and as a fragrance ingredient; in perfumery it may function as a fragrance note and fixative, contributing a woody-resinous character; in cosmetics and personal care formulations it can be evaluated as a scent component; in household products and cleaners as well as coatings and inks it can serve as a fragrance additive and, where appropriate, a solvent medium; in polymers and plastics it can be used as an intermediate for the synthesis of cyclohexyl-based compounds or as a formulation aid under controlled conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2021.28
    methanol 2187.47
    isopropanol 1908.01
    water 3.25
    ethyl acetate 1775.03
    n-propanol 1988.03
    acetone 2229.61
    n-butanol 1855.08
    acetonitrile 1317.64
    DMF 2397.49
    toluene 1182.46
    isobutanol 1689.91
    1,4-dioxane 2345.58
    methyl acetate 1542.94
    THF 3241.67
    2-butanone 1992.85
    n-pentanol 1056.04
    sec-butanol 1730.05
    n-hexane 422.38
    ethylene glycol 394.37
    NMP 1744.26
    cyclohexane 452.78
    DMSO 1493.16
    n-butyl acetate 1177.87
    n-octanol 611.42
    chloroform 3829.26
    n-propyl acetate 850.92
    acetic acid 1343.88
    dichloromethane 2475.51
    cyclohexanone 2467.7
    propylene glycol 731.92
    isopropyl acetate 1447.6
    DMAc 2079.1
    2-ethoxyethanol 1086.96
    isopentanol 1722.88
    n-heptane 102.82
    ethyl formate 940.16
    1,2-dichloroethane 2030.9
    n-hexanol 1522.76
    2-methoxyethanol 1900.09
    isobutyl acetate 690.96
    tetrachloromethane 771.16
    n-pentyl acetate 668.39
    transcutol 3379.18
    n-heptanol 567.2
    ethylbenzene 578.23
    MIBK 1147.68
    2-propoxyethanol 1853.62
    tert-butanol 2362.59
    MTBE 2751.61
    2-butoxyethanol 885.19
    propionic acid 1344.01
    o-xylene 690.24
    formic acid 519.16
    diethyl ether 2082.73
    m-xylene 831.5
    p-xylene 703.13
    chlorobenzene 1338.73
    dimethyl carbonate 580.65
    n-octane 48.86
    formamide 545.59
    cyclopentanone 2336.61
    2-pentanone 1816.07
    anisole 965.49
    cyclopentyl methyl ether 1965.7
    gamma-butyrolactone 2098.7
    1-methoxy-2-propanol 1687.58
    pyridine 1681.53
    3-pentanone 1301.71
    furfural 1606.03
    n-dodecane 33.52
    diethylene glycol 1064.73
    diisopropyl ether 699.03
    tert-amyl alcohol 1987.39
    acetylacetone 1513.11
    n-hexadecane 39.56
    acetophenone 781.95
    methyl propionate 1341.49
    isopentyl acetate 1209.48
    trichloroethylene 3133.17
    n-nonanol 503.2
    cyclohexanol 1691.1
    benzyl alcohol 752.6
    2-ethylhexanol 716.76
    isooctanol 455.68
    dipropyl ether 680.06
    1,2-dichlorobenzene 1065.08
    ethyl lactate 427.44
    propylene carbonate 1234.55
    n-methylformamide 1229.85
    2-pentanol 1371.97
    n-pentane 307.42
    1-propoxy-2-propanol 1206.85
    1-methoxy-2-propyl acetate 1216.83
    2-(2-methoxypropoxy) propanol 753.82
    mesitylene 519.46
    ε-caprolactone 1950.69
    p-cymene 281.48
    epichlorohydrin 2526.27
    1,1,1-trichloroethane 2444.46
    2-aminoethanol 876.02
    morpholine-4-carbaldehyde 1839.9
    sulfolane 1996.2
    2,2,4-trimethylpentane 165.44
    2-methyltetrahydrofuran 2801.64
    n-hexyl acetate 1131.1
    isooctane 132.54
    2-(2-butoxyethoxy)ethanol 1114.54
    sec-butyl acetate 771.88
    tert-butyl acetate 1447.8
    decalin 204.35
    glycerin 761.21
    diglyme 1677.02
    acrylic acid 981.43
    isopropyl myristate 349.79
    n-butyric acid 1822.46
    acetyl acetate 1003.12
    di(2-ethylhexyl) phthalate 324.71
    ethyl propionate 812.1
    nitromethane 1682.98
    1,2-diethoxyethane 1063.41
    benzonitrile 975.0
    trioctyl phosphate 252.89
    1-bromopropane 1619.76
    gamma-valerolactone 2622.18
    n-decanol 346.27
    triethyl phosphate 287.91
    4-methyl-2-pentanol 835.52
    propionitrile 1327.52
    vinylene carbonate 1037.38
    1,1,2-trichlorotrifluoroethane 1658.61
    DMS 822.68
    cumene 399.31
    2-octanol 401.57
    2-hexanone 1032.28
    octyl acetate 467.34
    limonene 433.46
    1,2-dimethoxyethane 1771.11
    ethyl orthosilicate 313.95
    tributyl phosphate 341.46
    diacetone alcohol 1321.17
    N,N-dimethylaniline 635.7
    acrylonitrile 1264.67
    aniline 1254.74
    1,3-propanediol 1162.65
    bromobenzene 1356.96
    dibromomethane 1929.74
    1,1,2,2-tetrachloroethane 3045.06
    2-methyl-cyclohexyl acetate 561.2
    tetrabutyl urea 378.28
    diisobutyl methanol 358.45
    2-phenylethanol 855.37
    styrene 708.43
    dioctyl adipate 426.09
    dimethyl sulfate 800.25
    ethyl butyrate 624.17
    methyl lactate 648.99
    butyl lactate 623.52
    diethyl carbonate 392.1
    propanediol butyl ether 947.09
    triethyl orthoformate 471.72
    p-tert-butyltoluene 294.0
    methyl 4-tert-butylbenzoate 654.35
    morpholine 2883.62
    tert-butylamine 1592.48
    n-dodecanol 241.75
    dimethoxymethane 1519.65
    ethylene carbonate 1019.1
    cyrene 566.92
    2-ethoxyethyl acetate 895.6
    2-ethylhexyl acetate 925.32
    1,2,4-trichlorobenzene 1252.75
    4-methylpyridine 2140.43
    dibutyl ether 642.73
    2,6-dimethyl-4-heptanol 358.45
    DEF 1637.7
    dimethyl isosorbide 985.89
    tetrachloroethylene 1925.44
    eugenol 569.18
    triacetin 815.85
    span 80 690.05
    1,4-butanediol 449.61
    1,1-dichloroethane 2454.52
    2-methyl-1-pentanol 1031.09
    methyl formate 868.93
    2-methyl-1-butanol 1653.95
    n-decane 68.94
    butyronitrile 1539.38
    3,7-dimethyl-1-octanol 656.97
    1-chlorooctane 398.38
    1-chlorotetradecane 120.57
    n-nonane 70.55
    undecane 45.95
    tert-butylcyclohexane 204.53
    cyclooctane 147.61
    cyclopentanol 1525.87
    tetrahydropyran 2990.22
    tert-amyl methyl ether 1731.27
    2,5,8-trioxanonane 941.77
    1-hexene 1128.56
    2-isopropoxyethanol 873.45
    2,2,2-trifluoroethanol 553.16
    methyl butyrate 1030.42

    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