Ethyl 1-hydroxy-3,3,5-trimethylcyclohexaneacetate

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  • Identifiers

    CAS number
    84434-61-7

    Molecular formula
    C13H24O3

    SMILES
    CCOC(=O)CC1(CC(CC(C1)(C)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 72.27%
    Floral 46.43%
    Woody 43.66%
    Sweet 43.09%
    Herbal 39.14%
    Mint 34.37%
    Spicy 33.82%
    Rose 31.63%
    Berry 31.11%
    Musk 30.01%

     

    Flavor
    Sweet 60.29%
    Fruity 55.0%
    Woody 47.6%
    Herbal 47.43%
    Tropical 37.43%
    Fruit 36.13%
    Green 35.24%
    Camphor 32.13%
    Citrus 31.44%
    Bitter 30.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.46 (neutral)

    Molecular weight
    228.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    277°C

    Flash point

    • 122.66 ˚C est.

  • Synonyms

    • Ethyl 1-hydroxy-3,3,5-trimethylcyclohexaneacetate
    • 84434-61-7
    • EINECS 282-861-4
    • RefChem:138481
    • 282-861-4
    • SCHEMBL11046887
    • DTXSID601004702
    • AKOS011681471
    • NS00060906
    • Ethyl 1-hydroxy-3,3,5-trimethyl-cyclohexylacetate
    • Ethyl (1-hydroxy-3,3,5-trimethylcyclohexyl)acetate
    • 84434-61-7

  • Applications

    Ethyl 1-hydroxy-3,3,5-trimethylcyclohexaneacetate (CAS number: 84434-61-7) is primarily used in perfumery as a fragrance ingredient and a scent modifier, with the potential to serve as a fragrance fixative to control evaporation in complex blends. It is also employed in cosmetics and personal care products to impart aroma in items such as moisturizers, lotions, and shampoos, and may appear in some household formulations such as cleaners and air fresheners. In industrial manufacturing, it acts as an intermediate in the synthesis of fragrance compounds and can be used in coatings or inks requiring a specific odor profile. Additionally, it can serve as a building block in polymer or resin formulations that require odor characteristics, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1738.68
    methanol 2297.58
    isopropanol 1100.99
    water 8.57
    ethyl acetate 1437.28
    n-propanol 1236.19
    acetone 1557.28
    n-butanol 1045.5
    acetonitrile 945.05
    DMF 2765.03
    toluene 464.65
    isobutanol 852.96
    1,4-dioxane 1945.49
    methyl acetate 1260.94
    THF 4246.69
    2-butanone 1016.71
    n-pentanol 495.49
    sec-butanol 793.51
    n-hexane 51.69
    ethylene glycol 510.27
    NMP 2909.21
    cyclohexane 112.15
    DMSO 1587.68
    n-butyl acetate 868.11
    n-octanol 404.73
    chloroform 2055.74
    n-propyl acetate 590.43
    acetic acid 2902.01
    dichloromethane 1557.18
    cyclohexanone 1954.03
    propylene glycol 815.91
    isopropyl acetate 929.35
    DMAc 1698.51
    2-ethoxyethanol 730.99
    isopentanol 840.38
    n-heptane 48.4
    ethyl formate 1076.96
    1,2-dichloroethane 1012.9
    n-hexanol 1047.59
    2-methoxyethanol 2132.01
    isobutyl acetate 441.37
    tetrachloromethane 235.08
    n-pentyl acetate 548.76
    transcutol 2776.74
    n-heptanol 320.13
    ethylbenzene 166.16
    MIBK 701.91
    2-propoxyethanol 1790.07
    tert-butanol 1205.89
    MTBE 794.12
    2-butoxyethanol 659.03
    propionic acid 1573.79
    o-xylene 262.31
    formic acid 1334.67
    diethyl ether 754.84
    m-xylene 376.0
    p-xylene 210.04
    chlorobenzene 664.29
    dimethyl carbonate 697.98
    n-octane 17.57
    formamide 1024.89
    cyclopentanone 2389.11
    2-pentanone 1002.29
    anisole 418.72
    cyclopentyl methyl ether 1621.51
    gamma-butyrolactone 3388.74
    1-methoxy-2-propanol 1658.71
    pyridine 1179.94
    3-pentanone 645.6
    furfural 2095.17
    n-dodecane 15.05
    diethylene glycol 1175.45
    diisopropyl ether 257.31
    tert-amyl alcohol 820.7
    acetylacetone 1373.11
    n-hexadecane 17.88
    acetophenone 446.11
    methyl propionate 1199.29
    isopentyl acetate 772.81
    trichloroethylene 2149.61
    n-nonanol 326.4
    cyclohexanol 1164.23
    benzyl alcohol 442.66
    2-ethylhexanol 434.61
    isooctanol 239.85
    dipropyl ether 387.19
    1,2-dichlorobenzene 518.91
    ethyl lactate 352.46
    propylene carbonate 1792.67
    n-methylformamide 1609.21
    2-pentanol 622.19
    n-pentane 61.22
    1-propoxy-2-propanol 1000.25
    1-methoxy-2-propyl acetate 1086.4
    2-(2-methoxypropoxy) propanol 605.7
    mesitylene 210.88
    ε-caprolactone 2000.17
    p-cymene 140.02
    epichlorohydrin 2790.88
    1,1,1-trichloroethane 1062.02
    2-aminoethanol 975.19
    morpholine-4-carbaldehyde 2379.86
    sulfolane 2703.17
    2,2,4-trimethylpentane 44.37
    2-methyltetrahydrofuran 2365.97
    n-hexyl acetate 943.93
    isooctane 35.82
    2-(2-butoxyethoxy)ethanol 892.09
    sec-butyl acetate 428.28
    tert-butyl acetate 957.77
    decalin 51.36
    glycerin 988.67
    diglyme 1348.99
    acrylic acid 1376.88
    isopropyl myristate 244.47
    n-butyric acid 1997.33
    acetyl acetate 1114.91
    di(2-ethylhexyl) phthalate 283.58
    ethyl propionate 559.66
    nitromethane 3051.01
    1,2-diethoxyethane 607.35
    benzonitrile 630.27
    trioctyl phosphate 213.09
    1-bromopropane 488.6
    gamma-valerolactone 3412.78
    n-decanol 209.63
    triethyl phosphate 220.99
    4-methyl-2-pentanol 385.42
    propionitrile 717.13
    vinylene carbonate 1458.57
    1,1,2-trichlorotrifluoroethane 1926.99
    DMS 735.51
    cumene 120.5
    2-octanol 227.17
    2-hexanone 505.57
    octyl acetate 359.0
    limonene 261.13
    1,2-dimethoxyethane 1123.39
    ethyl orthosilicate 218.21
    tributyl phosphate 271.91
    diacetone alcohol 1110.0
    N,N-dimethylaniline 267.14
    acrylonitrile 899.64
    aniline 698.92
    1,3-propanediol 1251.34
    bromobenzene 560.85
    dibromomethane 957.31
    1,1,2,2-tetrachloroethane 1578.79
    2-methyl-cyclohexyl acetate 426.14
    tetrabutyl urea 329.42
    diisobutyl methanol 192.63
    2-phenylethanol 603.68
    styrene 190.23
    dioctyl adipate 349.85
    dimethyl sulfate 936.1
    ethyl butyrate 474.42
    methyl lactate 753.22
    butyl lactate 475.91
    diethyl carbonate 316.08
    propanediol butyl ether 799.63
    triethyl orthoformate 351.07
    p-tert-butyltoluene 145.76
    methyl 4-tert-butylbenzoate 526.92
    morpholine 2568.01
    tert-butylamine 579.09
    n-dodecanol 142.23
    dimethoxymethane 1705.3
    ethylene carbonate 1275.46
    cyrene 594.81
    2-ethoxyethyl acetate 761.77
    2-ethylhexyl acetate 564.63
    1,2,4-trichlorobenzene 697.4
    4-methylpyridine 1311.46
    dibutyl ether 313.57
    2,6-dimethyl-4-heptanol 192.63
    DEF 1222.87
    dimethyl isosorbide 1068.83
    tetrachloroethylene 911.56
    eugenol 442.32
    triacetin 747.42
    span 80 640.4
    1,4-butanediol 345.13
    1,1-dichloroethane 1055.87
    2-methyl-1-pentanol 413.48
    methyl formate 1433.79
    2-methyl-1-butanol 765.47
    n-decane 30.94
    butyronitrile 780.76
    3,7-dimethyl-1-octanol 334.16
    1-chlorooctane 198.66
    1-chlorotetradecane 60.85
    n-nonane 30.01
    undecane 20.47
    tert-butylcyclohexane 51.01
    cyclooctane 39.81
    cyclopentanol 1425.5
    tetrahydropyran 1882.85
    tert-amyl methyl ether 612.33
    2,5,8-trioxanonane 814.75
    1-hexene 190.2
    2-isopropoxyethanol 496.11
    2,2,2-trifluoroethanol 983.16
    methyl butyrate 738.9

    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