alpha,3,3-Trimethylcyclohexylmethyl formate

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  • Identifiers

    CAS number
    25225-08-5

    Molecular formula
    C11H20O2

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 79.91%
    Woody 66.7%
    Herbal 60.1%
    Floral 45.31%
    Green 41.86%
    Fresh 41.5%
    Apple 38.33%
    Mint 32.66%
    Dry 32.63%
    Natural 32.09%

     

    Flavor
    Fruity 57.15%
    Herbal 56.55%
    Green 56.02%
    Floral 38.73%
    Woody 38.34%
    Sweet 35.01%
    Tropical 34.99%
    Fruit 34.59%
    Spicy 33.09%
    Earthy 32.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.05 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point

    • 87.12 ˚C est.

  • Synonyms

    • 25225-08-5
    • APHERMATE
    • 1-(3,3-dimethylcyclohexyl)ethyl formate
    • Cyclohexanemethanol, alpha,3,3-trimethyl-, formate
    • alpha,3,3-Trimethylcyclohexylmethyl formate
    • Cyclohexanemethanol, .alpha.,3,3-trimethyl-, formate
    • Formicacid1-(3,3-dimethyl-cyclohexyl)-ethylester
    • ABL7XFD0MO
    • Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-formate
    • EINECS 246-735-2
    • UNII-ABL7XFD0MO
    • (1R)-1-((1S)-3,3-Dimethylcyclohexyl)ethyl formate
    • SCHEMBL872710
    • Cyclohexane-1-methanol, alpha,3,3-trimethyl-, formate
    • DTXSID20865193
    • NFASPEPDTMCBEN-UHFFFAOYSA-N
    • (3,3-Dimethylcyclohexyl)ethyl formate
    • AKOS006271908
    • NS00013281
    • Formic acid 1-(3,3-dimethyl-cyclohexyl)-ethyl ester
    • Aquamate

  • Applications

    alpha,3,3-Trimethylcyclohexylmethyl formate, CAS 25225-08-5, is an ester of formic acid derived from a bulky alicyclic alcohol (alpha,3,3-trimethylcyclohexylmethanol). In practice, it is used as a fragrance ingredient and odorant, providing scent and sometimes acting as a fixative in perfumery. It may be used in cosmetics and personal care as a fragrance component; in household products such as cleaners and laundry formulations as a scent carrier; in industrial manufacturing as a solvent or processing aid for fragrance-related formulations; and as an additive in coatings or inks for specialized applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 893.62
    methanol 995.15
    isopropanol 725.69
    water 0.76
    ethyl acetate 1089.62
    n-propanol 832.8
    acetone 1258.65
    n-butanol 763.77
    acetonitrile 713.9
    DMF 1121.71
    toluene 567.28
    isobutanol 636.96
    1,4-dioxane 1071.04
    methyl acetate 956.14
    THF 2087.03
    2-butanone 1196.32
    n-pentanol 412.25
    sec-butanol 640.16
    n-hexane 92.09
    ethylene glycol 169.48
    NMP 1028.54
    cyclohexane 132.68
    DMSO 1177.04
    n-butyl acetate 883.03
    n-octanol 257.25
    chloroform 2365.54
    n-propyl acetate 601.74
    acetic acid 564.8
    dichloromethane 1876.89
    cyclohexanone 1445.39
    propylene glycol 289.31
    isopropyl acetate 698.37
    DMAc 707.25
    2-ethoxyethanol 520.33
    isopentanol 666.0
    n-heptane 41.0
    ethyl formate 628.91
    1,2-dichloroethane 1450.03
    n-hexanol 670.39
    2-methoxyethanol 996.48
    isobutyl acetate 377.98
    tetrachloromethane 385.41
    n-pentyl acetate 384.07
    transcutol 2087.02
    n-heptanol 255.59
    ethylbenzene 301.06
    MIBK 637.66
    2-propoxyethanol 978.22
    tert-butanol 873.58
    MTBE 867.42
    2-butoxyethanol 469.89
    propionic acid 675.86
    o-xylene 344.13
    formic acid 247.5
    diethyl ether 777.52
    m-xylene 422.13
    p-xylene 355.99
    chlorobenzene 867.87
    dimethyl carbonate 342.66
    n-octane 17.59
    formamide 338.97
    cyclopentanone 1894.82
    2-pentanone 1005.38
    anisole 599.71
    cyclopentyl methyl ether 979.38
    gamma-butyrolactone 1967.13
    1-methoxy-2-propanol 908.07
    pyridine 1009.13
    3-pentanone 704.72
    furfural 1369.91
    n-dodecane 12.04
    diethylene glycol 568.25
    diisopropyl ether 256.0
    tert-amyl alcohol 700.56
    acetylacetone 899.98
    n-hexadecane 14.77
    acetophenone 495.24
    methyl propionate 880.08
    isopentyl acetate 742.22
    trichloroethylene 2627.03
    n-nonanol 217.41
    cyclohexanol 663.64
    benzyl alcohol 417.07
    2-ethylhexanol 359.36
    isooctanol 215.86
    dipropyl ether 336.5
    1,2-dichlorobenzene 755.87
    ethyl lactate 284.89
    propylene carbonate 1013.48
    n-methylformamide 757.48
    2-pentanol 504.79
    n-pentane 74.11
    1-propoxy-2-propanol 703.83
    1-methoxy-2-propyl acetate 806.22
    2-(2-methoxypropoxy) propanol 429.34
    mesitylene 259.3
    ε-caprolactone 1237.6
    p-cymene 184.23
    epichlorohydrin 2011.23
    1,1,1-trichloroethane 1391.09
    2-aminoethanol 393.41
    morpholine-4-carbaldehyde 1013.48
    sulfolane 1857.2
    2,2,4-trimethylpentane 45.33
    2-methyltetrahydrofuran 1521.5
    n-hexyl acetate 573.32
    isooctane 44.51
    2-(2-butoxyethoxy)ethanol 628.17
    sec-butyl acetate 442.2
    tert-butyl acetate 723.9
    decalin 69.89
    glycerin 346.69
    diglyme 996.22
    acrylic acid 537.58
    isopropyl myristate 189.47
    n-butyric acid 980.07
    acetyl acetate 559.23
    di(2-ethylhexyl) phthalate 191.86
    ethyl propionate 577.27
    nitromethane 1068.12
    1,2-diethoxyethane 628.91
    benzonitrile 656.74
    trioctyl phosphate 144.77
    1-bromopropane 790.16
    gamma-valerolactone 1856.61
    n-decanol 152.69
    triethyl phosphate 186.54
    4-methyl-2-pentanol 332.59
    propionitrile 769.31
    vinylene carbonate 800.68
    1,1,2-trichlorotrifluoroethane 1061.6
    DMS 502.95
    cumene 195.39
    2-octanol 174.61
    2-hexanone 601.35
    octyl acetate 253.82
    limonene 251.94
    1,2-dimethoxyethane 850.68
    ethyl orthosilicate 185.93
    tributyl phosphate 193.98
    diacetone alcohol 780.76
    N,N-dimethylaniline 355.52
    acrylonitrile 869.67
    aniline 699.06
    1,3-propanediol 550.48
    bromobenzene 885.29
    dibromomethane 1317.53
    1,1,2,2-tetrachloroethane 1991.08
    2-methyl-cyclohexyl acetate 353.89
    tetrabutyl urea 215.47
    diisobutyl methanol 206.2
    2-phenylethanol 504.65
    styrene 369.98
    dioctyl adipate 258.66
    dimethyl sulfate 519.82
    ethyl butyrate 477.89
    methyl lactate 414.87
    butyl lactate 375.35
    diethyl carbonate 301.24
    propanediol butyl ether 521.95
    triethyl orthoformate 299.89
    p-tert-butyltoluene 184.23
    methyl 4-tert-butylbenzoate 404.57
    morpholine 1388.62
    tert-butylamine 552.84
    n-dodecanol 105.54
    dimethoxymethane 772.65
    ethylene carbonate 700.04
    cyrene 382.73
    2-ethoxyethyl acetate 539.17
    2-ethylhexyl acetate 570.77
    1,2,4-trichlorobenzene 866.03
    4-methylpyridine 1107.56
    dibutyl ether 287.54
    2,6-dimethyl-4-heptanol 206.2
    DEF 768.81
    dimethyl isosorbide 737.46
    tetrachloroethylene 1211.06
    eugenol 400.69
    triacetin 486.06
    span 80 379.16
    1,4-butanediol 198.21
    1,1-dichloroethane 1560.41
    2-methyl-1-pentanol 382.85
    methyl formate 580.46
    2-methyl-1-butanol 593.73
    n-decane 23.26
    butyronitrile 818.89
    3,7-dimethyl-1-octanol 328.49
    1-chlorooctane 167.85
    1-chlorotetradecane 49.96
    n-nonane 23.49
    undecane 16.11
    tert-butylcyclohexane 69.96
    cyclooctane 47.3
    cyclopentanol 779.83
    tetrahydropyran 1423.76
    tert-amyl methyl ether 570.59
    2,5,8-trioxanonane 585.66
    1-hexene 333.41
    2-isopropoxyethanol 407.15
    2,2,2-trifluoroethanol 247.64
    methyl butyrate 740.78

    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