(3,3-Dimethylcyclohexyl)methyl acetate

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  • Identifiers

    CAS number
    54993-30-5

    Molecular formula
    C11H20O2

    SMILES
    CC(=O)OCC1CCCC(C1)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.15%
    Sweet 59.27%
    Floral 58.95%
    Woody 48.95%
    Herbal 48.5%
    Fresh 39.61%
    Green 39.35%
    Apple 37.29%
    Mint 35.34%
    Rose 35.25%

     

    Flavor
    Sweet 68.67%
    Fruity 58.79%
    Herbal 54.01%
    Fruit 40.02%
    Woody 39.93%
    Raspberry 37.16%
    Balsam 33.8%
    Camphor 31.76%
    Spicy 31.52%
    Bitter 31.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.64 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 99.18 ˚C est.

  • Synonyms

    • 54993-30-5
    • SCHEMBL28018708
    • AKOS006272347
    • 54993-30-5

  • Applications

    (3,3-Dimethylcyclohexyl)methyl acetate, CAS 54993-30-5, is a fragrance-related chemical commonly encountered in perfumery and cosmetics as a fragrance ingredient/odorant and, owing to its bulky cyclohexyl group, may provide a mild fixative effect in formulations. It can also function as a solvent or processing aid in fragrance formulations and may serve as a fragrance carrier in household products such as air fresheners and cleaners. In coatings, inks, and adhesives, it is sometimes used as a processing solvent for fragrance-containing formulations. In industrial manufacturing, it may be employed as an intermediate in the synthesis of other fragrance-related compounds. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2052.36
    methanol 2308.2
    isopropanol 1538.73
    water 4.18
    ethyl acetate 1543.71
    n-propanol 1556.06
    acetone 1705.84
    n-butanol 1442.27
    acetonitrile 1087.43
    DMF 1909.39
    toluene 751.37
    isobutanol 1094.81
    1,4-dioxane 2026.11
    methyl acetate 1176.98
    THF 2425.28
    2-butanone 1338.9
    n-pentanol 767.4
    sec-butanol 1107.94
    n-hexane 198.61
    ethylene glycol 434.62
    NMP 1216.44
    cyclohexane 228.69
    DMSO 1229.96
    n-butyl acetate 962.56
    n-octanol 391.53
    chloroform 3089.75
    n-propyl acetate 699.35
    acetic acid 1570.7
    dichloromethane 1932.46
    cyclohexanone 1421.74
    propylene glycol 677.75
    isopropyl acetate 1127.12
    DMAc 1473.1
    2-ethoxyethanol 1065.47
    isopentanol 1223.87
    n-heptane 58.07
    ethyl formate 815.8
    1,2-dichloroethane 1539.81
    n-hexanol 1091.01
    2-methoxyethanol 1914.17
    isobutyl acetate 518.87
    tetrachloromethane 522.94
    n-pentyl acetate 447.21
    transcutol 3842.19
    n-heptanol 386.5
    ethylbenzene 361.99
    MIBK 834.0
    2-propoxyethanol 1669.39
    tert-butanol 1902.7
    MTBE 1843.52
    2-butoxyethanol 753.88
    propionic acid 1107.16
    o-xylene 418.11
    formic acid 737.99
    diethyl ether 1498.07
    m-xylene 535.39
    p-xylene 423.93
    chlorobenzene 928.34
    dimethyl carbonate 446.29
    n-octane 23.47
    formamide 780.87
    cyclopentanone 1442.49
    2-pentanone 1261.87
    anisole 796.14
    cyclopentyl methyl ether 1240.49
    gamma-butyrolactone 1502.66
    1-methoxy-2-propanol 1526.37
    pyridine 1346.1
    3-pentanone 838.05
    furfural 1405.78
    n-dodecane 16.41
    diethylene glycol 1057.93
    diisopropyl ether 465.81
    tert-amyl alcohol 1383.3
    acetylacetone 1198.57
    n-hexadecane 19.44
    acetophenone 593.14
    methyl propionate 1028.61
    isopentyl acetate 924.71
    trichloroethylene 2678.39
    n-nonanol 328.69
    cyclohexanol 986.96
    benzyl alcohol 595.81
    2-ethylhexanol 487.46
    isooctanol 298.5
    dipropyl ether 492.64
    1,2-dichlorobenzene 775.04
    ethyl lactate 373.52
    propylene carbonate 945.74
    n-methylformamide 1196.71
    2-pentanol 925.69
    n-pentane 160.35
    1-propoxy-2-propanol 1051.21
    1-methoxy-2-propyl acetate 1084.87
    2-(2-methoxypropoxy) propanol 699.09
    mesitylene 329.23
    ε-caprolactone 1291.89
    p-cymene 195.35
    epichlorohydrin 2012.79
    1,1,1-trichloroethane 1728.32
    2-aminoethanol 947.64
    morpholine-4-carbaldehyde 1584.75
    sulfolane 1315.16
    2,2,4-trimethylpentane 87.26
    2-methyltetrahydrofuran 1814.99
    n-hexyl acetate 736.23
    isooctane 78.75
    2-(2-butoxyethoxy)ethanol 1102.44
    sec-butyl acetate 608.53
    tert-butyl acetate 1140.26
    decalin 108.34
    glycerin 770.1
    diglyme 1597.96
    acrylic acid 888.75
    isopropyl myristate 239.65
    n-butyric acid 1627.67
    acetyl acetate 870.5
    di(2-ethylhexyl) phthalate 248.26
    ethyl propionate 643.89
    nitromethane 1810.08
    1,2-diethoxyethane 1035.62
    benzonitrile 725.77
    trioctyl phosphate 175.84
    1-bromopropane 1018.2
    gamma-valerolactone 1993.7
    n-decanol 229.72
    triethyl phosphate 232.51
    4-methyl-2-pentanol 567.81
    propionitrile 990.41
    vinylene carbonate 899.57
    1,1,2-trichlorotrifluoroethane 1541.51
    DMS 603.48
    cumene 248.31
    2-octanol 237.18
    2-hexanone 747.47
    octyl acetate 317.51
    limonene 290.42
    1,2-dimethoxyethane 1585.42
    ethyl orthosilicate 260.33
    tributyl phosphate 249.27
    diacetone alcohol 1106.86
    N,N-dimethylaniline 467.04
    acrylonitrile 1017.81
    aniline 976.79
    1,3-propanediol 1178.41
    bromobenzene 916.13
    dibromomethane 1400.67
    1,1,2,2-tetrachloroethane 2456.3
    2-methyl-cyclohexyl acetate 427.95
    tetrabutyl urea 274.36
    diisobutyl methanol 261.55
    2-phenylethanol 673.82
    styrene 475.85
    dioctyl adipate 326.61
    dimethyl sulfate 562.93
    ethyl butyrate 508.23
    methyl lactate 568.04
    butyl lactate 461.53
    diethyl carbonate 343.14
    propanediol butyl ether 769.97
    triethyl orthoformate 404.32
    p-tert-butyltoluene 203.26
    methyl 4-tert-butylbenzoate 491.57
    morpholine 2583.47
    tert-butylamine 1219.63
    n-dodecanol 159.59
    dimethoxymethane 1232.47
    ethylene carbonate 813.77
    cyrene 460.45
    2-ethoxyethyl acetate 704.36
    2-ethylhexyl acetate 691.18
    1,2,4-trichlorobenzene 932.87
    4-methylpyridine 1512.85
    dibutyl ether 437.7
    2,6-dimethyl-4-heptanol 261.55
    DEF 1237.53
    dimethyl isosorbide 879.34
    tetrachloroethylene 1548.84
    eugenol 463.25
    triacetin 643.98
    span 80 571.83
    1,4-butanediol 425.46
    1,1-dichloroethane 1801.24
    2-methyl-1-pentanol 695.09
    methyl formate 828.61
    2-methyl-1-butanol 1073.76
    n-decane 34.52
    butyronitrile 1133.09
    3,7-dimethyl-1-octanol 452.2
    1-chlorooctane 212.99
    1-chlorotetradecane 66.96
    n-nonane 33.96
    undecane 22.81
    tert-butylcyclohexane 106.76
    cyclooctane 71.81
    cyclopentanol 907.46
    tetrahydropyran 1986.68
    tert-amyl methyl ether 1139.01
    2,5,8-trioxanonane 963.57
    1-hexene 637.6
    2-isopropoxyethanol 774.44
    2,2,2-trifluoroethanol 577.73
    methyl butyrate 803.01

    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