Propanoic acid, 2-methyl-, cyclohexyl ester

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  • Identifiers

    CAS number
    1129-47-1

    Molecular formula
    C10H18O2

    SMILES
    CC(C)C(=O)OC1CCCCC1

  • Odor profile

    Fragrance
    Fruity 97.45%
    Sweet 77.77%
    Apple 61.5%
    Pineapple 59.49%
    Banana 53.06%
    Tropical 47.61%
    Apricot 42.95%
    Berry 42.53%
    Green 40.64%
    Floral 36.47%

     

    Flavor
    Fruity 86.89%
    Tropical 47.16%
    Berry 45.97%
    Pineapple 44.45%
    Fruit 40.45%
    Sweet 35.58%
    Green 33.54%
    Apple 33.47%
    Floral 29.92%
    Grape 29.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.05 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    209°C

    Flash point

    • 81.59 ˚C est.

  • Synonyms

    • Cyclohexyl isobutyrate
    • 1129-47-1
    • Cyclohexyl 2-methylpropanoate
    • Propanoic acid, 2-methyl-, cyclohexyl ester
    • EINECS 214-448-1
    • NSC 53788
    • DTXSID4061543
    • cyclohexyl-iso-butyrate
    • Cyclohexyl iso-butyrate
    • SCHEMBL753308
    • Cyclohexyl 2-methylpropanoate #
    • DTXCID3033307
    • NSC53788
    • CYCLOHEXYL 2-METHYLPROPIONATE
    • NSC-53788
    • AKOS006242785
    • DB-318968
    • NS00023667
    • Q63408979
    • 214-448-1

  • Applications

    Propanoic acid, 2-methyl-, cyclohexyl ester (CAS number: 1129-47-1) is used primarily as a fragrance ingredient and odor fixative in perfumery and cosmetic formulations; it is also employed as an aroma component in cosmetics and personal care products; it may be used as a fragrance component in household cleaning products; it can function as a solvent or processing aid in coatings and inks; and it is evaluated or used as a plasticizer or processing additive in certain polymer systems. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1645.95
    methanol 1515.49
    isopropanol 1791.78
    water 1.86
    ethyl acetate 1282.77
    n-propanol 1527.99
    acetone 1959.27
    n-butanol 1465.83
    acetonitrile 1719.6
    DMF 1837.03
    toluene 909.69
    isobutanol 1399.06
    1,4-dioxane 1701.91
    methyl acetate 1240.38
    THF 2045.18
    2-butanone 1676.04
    n-pentanol 1128.47
    sec-butanol 1782.24
    n-hexane 382.42
    ethylene glycol 194.01
    NMP 1570.77
    cyclohexane 480.11
    DMSO 1161.42
    n-butyl acetate 1740.74
    n-octanol 968.99
    chloroform 6673.89
    n-propyl acetate 1164.82
    acetic acid 1507.59
    dichloromethane 4612.48
    cyclohexanone 2456.07
    propylene glycol 398.74
    isopropyl acetate 956.46
    DMAc 1465.67
    2-ethoxyethanol 949.84
    isopentanol 1344.56
    n-heptane 207.12
    ethyl formate 1243.15
    1,2-dichloroethane 2215.61
    n-hexanol 1268.45
    2-methoxyethanol 1288.16
    isobutyl acetate 797.63
    tetrachloromethane 969.27
    n-pentyl acetate 1160.06
    transcutol 2303.14
    n-heptanol 816.59
    ethylbenzene 690.45
    MIBK 845.29
    2-propoxyethanol 1222.95
    tert-butanol 1797.41
    MTBE 1456.44
    2-butoxyethanol 1030.22
    propionic acid 1290.11
    o-xylene 643.75
    formic acid 357.31
    diethyl ether 1007.72
    m-xylene 619.77
    p-xylene 1009.52
    chlorobenzene 1709.01
    dimethyl carbonate 366.33
    n-octane 145.06
    formamide 498.33
    cyclopentanone 2280.69
    2-pentanone 1311.17
    anisole 1050.76
    cyclopentyl methyl ether 1019.29
    gamma-butyrolactone 2528.15
    1-methoxy-2-propanol 1038.52
    pyridine 2309.72
    3-pentanone 893.11
    furfural 2382.41
    n-dodecane 123.91
    diethylene glycol 645.31
    diisopropyl ether 414.47
    tert-amyl alcohol 1557.94
    acetylacetone 1216.05
    n-hexadecane 139.77
    acetophenone 1082.36
    methyl propionate 868.83
    isopentyl acetate 1614.1
    trichloroethylene 4872.76
    n-nonanol 755.83
    cyclohexanol 1445.39
    benzyl alcohol 933.86
    2-ethylhexanol 875.39
    isooctanol 700.97
    dipropyl ether 710.71
    1,2-dichlorobenzene 1478.55
    ethyl lactate 475.27
    propylene carbonate 1833.83
    n-methylformamide 1061.28
    2-pentanol 1137.85
    n-pentane 267.32
    1-propoxy-2-propanol 1106.15
    1-methoxy-2-propyl acetate 930.42
    2-(2-methoxypropoxy) propanol 732.3
    mesitylene 419.56
    ε-caprolactone 2118.23
    p-cymene 468.04
    epichlorohydrin 2422.07
    1,1,1-trichloroethane 2789.69
    2-aminoethanol 547.64
    morpholine-4-carbaldehyde 1530.27
    sulfolane 2111.68
    2,2,4-trimethylpentane 168.99
    2-methyltetrahydrofuran 1857.73
    n-hexyl acetate 1513.51
    isooctane 137.83
    2-(2-butoxyethoxy)ethanol 986.39
    sec-butyl acetate 782.73
    tert-butyl acetate 886.79
    decalin 257.75
    glycerin 412.73
    diglyme 1738.26
    acrylic acid 1040.64
    isopropyl myristate 566.05
    n-butyric acid 1968.85
    acetyl acetate 880.08
    di(2-ethylhexyl) phthalate 473.69
    ethyl propionate 858.95
    nitromethane 1941.07
    1,2-diethoxyethane 1060.2
    benzonitrile 1868.66
    trioctyl phosphate 377.99
    1-bromopropane 1692.29
    gamma-valerolactone 2574.1
    n-decanol 519.09
    triethyl phosphate 415.61
    4-methyl-2-pentanol 650.78
    propionitrile 1581.72
    vinylene carbonate 1717.52
    1,1,2-trichlorotrifluoroethane 1664.43
    DMS 769.54
    cumene 498.21
    2-octanol 745.17
    2-hexanone 1257.48
    octyl acetate 713.49
    limonene 635.1
    1,2-dimethoxyethane 1668.75
    ethyl orthosilicate 406.84
    tributyl phosphate 487.68
    diacetone alcohol 886.73
    N,N-dimethylaniline 714.42
    acrylonitrile 1774.13
    aniline 1064.23
    1,3-propanediol 885.62
    bromobenzene 1972.3
    dibromomethane 3435.33
    1,1,2,2-tetrachloroethane 4100.37
    2-methyl-cyclohexyl acetate 762.18
    tetrabutyl urea 555.19
    diisobutyl methanol 512.23
    2-phenylethanol 891.56
    styrene 891.2
    dioctyl adipate 708.47
    dimethyl sulfate 534.25
    ethyl butyrate 1029.35
    methyl lactate 466.83
    butyl lactate 840.19
    diethyl carbonate 707.63
    propanediol butyl ether 950.55
    triethyl orthoformate 649.1
    p-tert-butyltoluene 439.57
    methyl 4-tert-butylbenzoate 856.03
    morpholine 1885.48
    tert-butylamine 1333.58
    n-dodecanol 387.77
    dimethoxymethane 813.08
    ethylene carbonate 1476.29
    cyrene 589.62
    2-ethoxyethyl acetate 985.61
    2-ethylhexyl acetate 1184.14
    1,2,4-trichlorobenzene 1629.51
    4-methylpyridine 2455.71
    dibutyl ether 999.12
    2,6-dimethyl-4-heptanol 512.23
    DEF 1309.41
    dimethyl isosorbide 1059.72
    tetrachloroethylene 2526.84
    eugenol 820.12
    triacetin 973.92
    span 80 835.8
    1,4-butanediol 455.71
    1,1-dichloroethane 3141.69
    2-methyl-1-pentanol 1124.95
    methyl formate 819.97
    2-methyl-1-butanol 1280.32
    n-decane 212.81
    butyronitrile 2093.32
    3,7-dimethyl-1-octanol 879.44
    1-chlorooctane 767.38
    1-chlorotetradecane 274.96
    n-nonane 223.09
    undecane 154.78
    tert-butylcyclohexane 249.61
    cyclooctane 154.03
    cyclopentanol 1469.88
    tetrahydropyran 1912.11
    tert-amyl methyl ether 935.53
    2,5,8-trioxanonane 1045.77
    1-hexene 1066.58
    2-isopropoxyethanol 740.28
    2,2,2-trifluoroethanol 461.48
    methyl butyrate 1415.53

    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