Ethyl 3,3,5-trimethylcyclohexaneacetate

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  • Identifiers

    CAS number
    32349-98-7

    Molecular formula
    C13H24O2

    SMILES
    CCOC(=O)CC1CC(CC(C1)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 87.01%
    Sweet 51.85%
    Floral 50.45%
    Woody 40.79%
    Rose 39.07%
    Herbal 38.36%
    Apple 35.93%
    Green 35.61%
    Berry 34.64%
    Mint 30.34%

     

    Flavor
    Sweet 60.81%
    Fruity 59.99%
    Herbal 48.14%
    Fruit 41.18%
    Woody 40.9%
    Tropical 37.27%
    Raspberry 35.65%
    Green 34.45%
    Rose 29.08%
    Balsam 28.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.99 (neutral)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    247°C

    Flash point

    • 104.07 ˚C est.

  • Synonyms

    • Ethyl 3,3,5-trimethylcyclohexaneacetate
    • 32349-98-7
    • EINECS 251-005-1
    • RefChem:138637
    • 251-005-1
    • SCHEMBL11046861
    • DTXSID20954132
    • ethyl 3,3,5-trimethyl-cyclohexylacetate
    • ethyl (3,3,5-trimethylcyclohexyl)acetate
    • NS00058809
    • 32349-98-7

  • Applications

    Ethyl 3,3,5-trimethylcyclohexaneacetate (CAS 32349-98-7) is primarily used as a fragrance ingredient and odorant in perfumery, where it can act as a scent component and, in some blends, as a fixative to help stabilize and extend fragrance volatility. In cosmetics and personal care, it is employed for its aroma in products such as fragrances, skincare formulations, and shower/bath products. It is also used in household cleaning products to impart a pleasant fragrance. In coatings and inks, it may be incorporated as a fragrance additive to introduce or preserve scent in packaging or consumer goods.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4972.55
    methanol 5014.1
    isopropanol 3501.72
    water 3.18
    ethyl acetate 4270.92
    n-propanol 3381.04
    acetone 4483.39
    n-butanol 3331.22
    acetonitrile 2638.95
    DMF 4236.71
    toluene 1448.29
    isobutanol 2614.14
    1,4-dioxane 4996.58
    methyl acetate 2560.17
    THF 8542.78
    2-butanone 2803.55
    n-pentanol 1404.2
    sec-butanol 2305.25
    n-hexane 269.56
    ethylene glycol 613.88
    NMP 3637.45
    cyclohexane 601.56
    DMSO 2685.81
    n-butyl acetate 2989.5
    n-octanol 834.68
    chloroform 5888.28
    n-propyl acetate 1495.31
    acetic acid 3992.33
    dichloromethane 4910.98
    cyclohexanone 4793.74
    propylene glycol 1077.1
    isopropyl acetate 2851.29
    DMAc 2631.37
    2-ethoxyethanol 1614.01
    isopentanol 2705.17
    n-heptane 180.27
    ethyl formate 2204.11
    1,2-dichloroethane 3498.92
    n-hexanol 2920.56
    2-methoxyethanol 4390.68
    isobutyl acetate 1139.68
    tetrachloromethane 820.9
    n-pentyl acetate 1453.54
    transcutol 7376.75
    n-heptanol 814.47
    ethylbenzene 519.72
    MIBK 1998.51
    2-propoxyethanol 4041.87
    tert-butanol 3575.53
    MTBE 3535.71
    2-butoxyethanol 1528.7
    propionic acid 2518.44
    o-xylene 730.57
    formic acid 1237.82
    diethyl ether 3638.59
    m-xylene 1086.71
    p-xylene 639.57
    chlorobenzene 1905.09
    dimethyl carbonate 1075.82
    n-octane 62.58
    formamide 1347.13
    cyclopentanone 4730.23
    2-pentanone 3118.15
    anisole 1105.79
    cyclopentyl methyl ether 4116.01
    gamma-butyrolactone 5496.99
    1-methoxy-2-propanol 3348.39
    pyridine 2914.92
    3-pentanone 1763.0
    furfural 3499.94
    n-dodecane 47.04
    diethylene glycol 2016.76
    diisopropyl ether 1137.21
    tert-amyl alcohol 2379.83
    acetylacetone 3007.98
    n-hexadecane 56.37
    acetophenone 922.65
    methyl propionate 2633.28
    isopentyl acetate 2780.96
    trichloroethylene 5947.24
    n-nonanol 678.67
    cyclohexanol 3137.43
    benzyl alcohol 891.04
    2-ethylhexanol 1249.33
    isooctanol 626.5
    dipropyl ether 1399.06
    1,2-dichlorobenzene 1487.87
    ethyl lactate 606.51
    propylene carbonate 3028.74
    n-methylformamide 2403.48
    2-pentanol 2088.07
    n-pentane 318.89
    1-propoxy-2-propanol 2583.96
    1-methoxy-2-propyl acetate 2945.84
    2-(2-methoxypropoxy) propanol 1171.92
    mesitylene 639.06
    ε-caprolactone 4189.51
    p-cymene 408.98
    epichlorohydrin 6083.3
    1,1,1-trichloroethane 3354.15
    2-aminoethanol 1445.33
    morpholine-4-carbaldehyde 3906.71
    sulfolane 4149.28
    2,2,4-trimethylpentane 176.69
    2-methyltetrahydrofuran 6182.03
    n-hexyl acetate 2306.21
    isooctane 152.86
    2-(2-butoxyethoxy)ethanol 1807.56
    sec-butyl acetate 1215.76
    tert-butyl acetate 2966.16
    decalin 194.64
    glycerin 1151.13
    diglyme 3219.68
    acrylic acid 1798.15
    isopropyl myristate 608.93
    n-butyric acid 4456.09
    acetyl acetate 2435.89
    di(2-ethylhexyl) phthalate 532.89
    ethyl propionate 1309.05
    nitromethane 4907.95
    1,2-diethoxyethane 2378.12
    benzonitrile 1434.16
    trioctyl phosphate 404.27
    1-bromopropane 2195.19
    gamma-valerolactone 6184.6
    n-decanol 449.89
    triethyl phosphate 477.47
    4-methyl-2-pentanol 1193.02
    propionitrile 1941.76
    vinylene carbonate 2410.78
    1,1,2-trichlorotrifluoroethane 3277.18
    DMS 1429.87
    cumene 353.79
    2-octanol 544.45
    2-hexanone 1315.28
    octyl acetate 812.26
    limonene 778.28
    1,2-dimethoxyethane 2719.75
    ethyl orthosilicate 514.99
    tributyl phosphate 575.22
    diacetone alcohol 2522.44
    N,N-dimethylaniline 681.38
    acrylonitrile 1982.93
    aniline 1655.63
    1,3-propanediol 2532.71
    bromobenzene 1896.58
    dibromomethane 3322.36
    1,1,2,2-tetrachloroethane 4552.14
    2-methyl-cyclohexyl acetate 1064.89
    tetrabutyl urea 630.74
    diisobutyl methanol 591.68
    2-phenylethanol 1371.93
    styrene 617.56
    dioctyl adipate 792.11
    dimethyl sulfate 1312.81
    ethyl butyrate 1409.4
    methyl lactate 1089.84
    butyl lactate 1057.23
    diethyl carbonate 786.47
    propanediol butyl ether 1364.67
    triethyl orthoformate 941.91
    p-tert-butyltoluene 428.89
    methyl 4-tert-butylbenzoate 985.85
    morpholine 6307.77
    tert-butylamine 2202.37
    n-dodecanol 314.44
    dimethoxymethane 3485.59
    ethylene carbonate 2346.02
    cyrene 870.16
    2-ethoxyethyl acetate 2062.85
    2-ethylhexyl acetate 1912.06
    1,2,4-trichlorobenzene 1651.49
    4-methylpyridine 3379.13
    dibutyl ether 1130.59
    2,6-dimethyl-4-heptanol 591.68
    DEF 3069.01
    dimethyl isosorbide 2045.92
    tetrachloroethylene 2805.9
    eugenol 821.64
    triacetin 1391.14
    span 80 1072.63
    1,4-butanediol 604.82
    1,1-dichloroethane 3717.31
    2-methyl-1-pentanol 1208.78
    methyl formate 1888.06
    2-methyl-1-butanol 2345.6
    n-decane 96.24
    butyronitrile 2783.33
    3,7-dimethyl-1-octanol 861.9
    1-chlorooctane 561.49
    1-chlorotetradecane 182.7
    n-nonane 97.23
    undecane 64.69
    tert-butylcyclohexane 187.26
    cyclooctane 179.38
    cyclopentanol 2887.04
    tetrahydropyran 6141.24
    tert-amyl methyl ether 2107.4
    2,5,8-trioxanonane 1646.89
    1-hexene 886.12
    2-isopropoxyethanol 1152.01
    2,2,2-trifluoroethanol 1210.8
    methyl butyrate 1723.33

    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