2-[1-(3,3-Dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarboxylate

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  • Identifiers

    CAS number
    477218-42-1

    Molecular formula
    C18H32O3

    SMILES
    CC(C1CCCC(C1)(C)C)OC(C)(C)COC(=O)C2CC2

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 58.27%
    Musk 42.28%
    Amber 41.67%
    Floral 39.28%
    Dry 34.13%
    Fruity 30.85%
    Mint 29.01%
    Balsamic 27.96%
    Vetiver 27.3%
    Cedar 27.07%

     

    Flavor
    Herbal 41.81%
    Green 37.61%
    Fruity 36.56%
    Sweet 31.97%
    Tropical 30.45%
    Bitter 27.09%
    Woody 26.45%
    Mild 25.62%
    Fruit 25.48%
    Floral 24.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.69 (neutral)

    Molecular weight
    296.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 129.46 ˚C est.

  • Synonyms

    • 477218-42-1
    • DTXSID90889184
    • 2-[1-(3,3-DIMETHYLCYCLOHEXYL)ETHOXY]-2-METHYLPROPYL CYCLOPROPANECARBOXYLATE
    • Cyclopropanecarboxylic acid, 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methylpropyl ester
    • Cyclopropanecarboxylic acid, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl ester
    • 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methylpropyl cyclopropanecarboxylate
    • SCHEMBL313294
    • BZLYOWSSNHNYKW-UHFFFAOYSA-N
    • DTXCID301028452
    • NS00021167
    • 460-490-0
    • Serenolide

  • Applications

    2-[1-(3,3-Dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarboxylate (CAS 477218-42-1) is used as a fragrance ingredient and odorant in perfumery and cosmetics, where it can act as a scent component and, in some formulations, as a fixative to improve longevity; it is also encountered in household products such as air fresheners and cleaning formulations for its odor profile. It may serve as a synthetic intermediate or processing aid in specialty chemical and polymer applications, including potential use as a plasticizer or co-ingredient to tune formulation properties. Its use is formulation-dependent and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 921.76
    methanol 590.8
    isopropanol 744.92
    water 0.36
    ethyl acetate 1231.02
    n-propanol 712.0
    acetone 816.04
    n-butanol 714.58
    acetonitrile 554.0
    DMF 569.83
    toluene 568.01
    isobutanol 573.28
    1,4-dioxane 1208.04
    methyl acetate 774.61
    THF 1647.89
    2-butanone 814.97
    n-pentanol 507.21
    sec-butanol 654.7
    n-hexane 90.05
    ethylene glycol 74.83
    NMP 476.22
    cyclohexane 178.58
    DMSO 425.38
    n-butyl acetate 871.39
    n-octanol 286.67
    chloroform 2074.31
    n-propyl acetate 794.7
    acetic acid 811.84
    dichloromethane 1584.67
    cyclohexanone 1032.11
    propylene glycol 152.23
    isopropyl acetate 1051.23
    DMAc 823.65
    2-ethoxyethanol 833.73
    isopentanol 719.67
    n-heptane 46.12
    ethyl formate 495.34
    1,2-dichloroethane 1023.5
    n-hexanol 559.69
    2-methoxyethanol 869.96
    isobutyl acetate 702.68
    tetrachloromethane 299.57
    n-pentyl acetate 570.65
    transcutol 2346.86
    n-heptanol 289.37
    ethylbenzene 343.52
    MIBK 691.51
    2-propoxyethanol 998.25
    tert-butanol 740.2
    MTBE 1237.42
    2-butoxyethanol 635.97
    propionic acid 430.45
    o-xylene 356.63
    formic acid 196.14
    diethyl ether 1015.3
    m-xylene 403.23
    p-xylene 456.86
    chlorobenzene 607.6
    dimethyl carbonate 257.89
    n-octane 23.98
    formamide 237.29
    cyclopentanone 818.88
    2-pentanone 879.17
    anisole 590.11
    cyclopentyl methyl ether 828.0
    gamma-butyrolactone 841.57
    1-methoxy-2-propanol 774.83
    pyridine 823.05
    3-pentanone 597.62
    furfural 747.2
    n-dodecane 19.3
    diethylene glycol 515.12
    diisopropyl ether 417.88
    tert-amyl alcohol 669.41
    acetylacetone 883.79
    n-hexadecane 23.33
    acetophenone 534.17
    methyl propionate 640.53
    isopentyl acetate 944.33
    trichloroethylene 1759.95
    n-nonanol 271.33
    cyclohexanol 603.31
    benzyl alcohol 423.42
    2-ethylhexanol 349.47
    isooctanol 254.15
    dipropyl ether 404.77
    1,2-dichlorobenzene 549.95
    ethyl lactate 294.15
    propylene carbonate 619.01
    n-methylformamide 316.94
    2-pentanol 574.87
    n-pentane 84.67
    1-propoxy-2-propanol 685.2
    1-methoxy-2-propyl acetate 889.42
    2-(2-methoxypropoxy) propanol 552.38
    mesitylene 268.11
    ε-caprolactone 1009.45
    p-cymene 200.03
    epichlorohydrin 1332.73
    1,1,1-trichloroethane 1167.67
    2-aminoethanol 236.51
    morpholine-4-carbaldehyde 835.49
    sulfolane 617.95
    2,2,4-trimethylpentane 65.19
    2-methyltetrahydrofuran 1327.15
    n-hexyl acetate 761.36
    isooctane 54.1
    2-(2-butoxyethoxy)ethanol 796.06
    sec-butyl acetate 752.86
    tert-butyl acetate 913.19
    decalin 96.01
    glycerin 197.28
    diglyme 1358.84
    acrylic acid 298.52
    isopropyl myristate 266.77
    n-butyric acid 889.41
    acetyl acetate 730.11
    di(2-ethylhexyl) phthalate 230.73
    ethyl propionate 671.87
    nitromethane 823.14
    1,2-diethoxyethane 886.67
    benzonitrile 497.33
    trioctyl phosphate 166.19
    1-bromopropane 750.58
    gamma-valerolactone 1280.59
    n-decanol 182.15
    triethyl phosphate 251.63
    4-methyl-2-pentanol 412.47
    propionitrile 501.75
    vinylene carbonate 547.33
    1,1,2-trichlorotrifluoroethane 778.33
    DMS 516.51
    cumene 253.25
    2-octanol 214.82
    2-hexanone 660.92
    octyl acetate 326.44
    limonene 271.49
    1,2-dimethoxyethane 1218.49
    ethyl orthosilicate 264.51
    tributyl phosphate 223.31
    diacetone alcohol 650.33
    N,N-dimethylaniline 374.45
    acrylonitrile 458.63
    aniline 459.51
    1,3-propanediol 457.72
    bromobenzene 680.33
    dibromomethane 1115.75
    1,1,2,2-tetrachloroethane 1468.47
    2-methyl-cyclohexyl acetate 479.84
    tetrabutyl urea 234.46
    diisobutyl methanol 223.54
    2-phenylethanol 467.6
    styrene 385.17
    dioctyl adipate 342.17
    dimethyl sulfate 274.31
    ethyl butyrate 601.41
    methyl lactate 267.04
    butyl lactate 404.64
    diethyl carbonate 380.15
    propanediol butyl ether 491.14
    triethyl orthoformate 426.51
    p-tert-butyltoluene 188.19
    methyl 4-tert-butylbenzoate 421.28
    morpholine 1343.08
    tert-butylamine 492.72
    n-dodecanol 130.81
    dimethoxymethane 744.45
    ethylene carbonate 544.24
    cyrene 358.0
    2-ethoxyethyl acetate 801.06
    2-ethylhexyl acetate 727.17
    1,2,4-trichlorobenzene 622.44
    4-methylpyridine 963.84
    dibutyl ether 429.91
    2,6-dimethyl-4-heptanol 223.54
    DEF 736.15
    dimethyl isosorbide 714.74
    tetrachloroethylene 864.43
    eugenol 375.64
    triacetin 637.52
    span 80 411.57
    1,4-butanediol 223.64
    1,1-dichloroethane 1216.73
    2-methyl-1-pentanol 522.7
    methyl formate 257.87
    2-methyl-1-butanol 607.77
    n-decane 38.96
    butyronitrile 646.22
    3,7-dimethyl-1-octanol 335.65
    1-chlorooctane 204.86
    1-chlorotetradecane 72.07
    n-nonane 34.86
    undecane 25.71
    tert-butylcyclohexane 85.79
    cyclooctane 58.5
    cyclopentanol 460.15
    tetrahydropyran 1368.65
    tert-amyl methyl ether 803.82
    2,5,8-trioxanonane 772.05
    1-hexene 336.73
    2-isopropoxyethanol 689.65
    2,2,2-trifluoroethanol 247.92
    methyl butyrate 817.61

    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