1-Methylpropyl cyclohexanecarboxylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6553-82-8

    Molecular formula
    C11H20O2

    SMILES
    CCC(C)OC(=O)C1CCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 81.33%
    Apple 44.87%
    Sweet 41.74%
    Floral 39.64%
    Herbal 37.98%
    Pineapple 31.06%
    Mint 30.16%
    Berry 29.32%
    Fresh 27.26%
    Green 25.5%

     

    Flavor
    Fruity 80.43%
    Fruit 45.03%
    Pineapple 43.76%
    Tropical 38.56%
    Berry 38.36%
    Green 34.93%
    Apple 27.01%
    Herbal 26.93%
    Cheese 26.75%
    Minty 24.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    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.
    222°C

    Flash point

    • 92.95 ˚C est.

  • Synonyms

    • 1-Methylpropyl cyclohexanecarboxylate
    • 6553-82-8
    • butan-2-yl cyclohexanecarboxylate
    • EINECS 229-477-5
    • SCHEMBL2240092
    • DTXSID90984128
    • ZCNBPOAOAOYPLJ-UHFFFAOYSA-N
    • NS00046965
    • Cyclohexanecarboxylic acid, 1-methylpropyl ester
    • 6553-82-8

  • Applications

    1-Methylpropyl cyclohexanecarboxylate, CAS 6553-82-8, is an ester commonly used as a fragrance ingredient and fragrance carrier in the perfumery and personal care industries; it functions as an odorant and a potential fixative in fragrance formulations, contributing to a longer-lasting aroma; it is also used as a solvent or carrier for fragrance components in household and cleaning products; it serves as an intermediate in industrial fragrance manufacturing and the synthesis of aroma compounds; it may be added to coatings and inks as a fragrance additive in consumer-facing products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2511.1
    methanol 2122.55
    isopropanol 2781.55
    water 0.99
    ethyl acetate 1773.38
    n-propanol 2322.86
    acetone 2538.78
    n-butanol 2255.88
    acetonitrile 2130.96
    DMF 2592.28
    toluene 1185.69
    isobutanol 2061.57
    1,4-dioxane 2778.68
    methyl acetate 1528.95
    THF 2940.38
    2-butanone 2077.41
    n-pentanol 1659.06
    sec-butanol 2563.96
    n-hexane 550.86
    ethylene glycol 196.85
    NMP 1937.39
    cyclohexane 871.82
    DMSO 1514.06
    n-butyl acetate 2253.06
    n-octanol 1098.18
    chloroform 8480.32
    n-propyl acetate 1349.93
    acetic acid 1887.6
    dichloromethane 5568.12
    cyclohexanone 3587.34
    propylene glycol 466.63
    isopropyl acetate 1267.33
    DMAc 1666.06
    2-ethoxyethanol 1121.56
    isopentanol 2069.35
    n-heptane 247.1
    ethyl formate 1479.29
    1,2-dichloroethane 3128.48
    n-hexanol 1873.13
    2-methoxyethanol 1711.86
    isobutyl acetate 924.93
    tetrachloromethane 1074.39
    n-pentyl acetate 1350.75
    transcutol 3215.43
    n-heptanol 945.64
    ethylbenzene 824.06
    MIBK 1093.44
    2-propoxyethanol 1640.6
    tert-butanol 2541.2
    MTBE 2059.07
    2-butoxyethanol 1181.37
    propionic acid 1579.78
    o-xylene 757.8
    formic acid 377.09
    diethyl ether 1681.21
    m-xylene 732.84
    p-xylene 1179.24
    chlorobenzene 2430.93
    dimethyl carbonate 418.86
    n-octane 152.33
    formamide 528.46
    cyclopentanone 2915.98
    2-pentanone 1742.29
    anisole 1227.45
    cyclopentyl methyl ether 1453.56
    gamma-butyrolactone 2948.67
    1-methoxy-2-propanol 1365.59
    pyridine 3822.91
    3-pentanone 1130.93
    furfural 2701.3
    n-dodecane 120.58
    diethylene glycol 817.51
    diisopropyl ether 568.78
    tert-amyl alcohol 2120.21
    acetylacetone 1466.85
    n-hexadecane 141.19
    acetophenone 1166.71
    methyl propionate 1102.29
    isopentyl acetate 1986.35
    trichloroethylene 6236.37
    n-nonanol 868.58
    cyclohexanol 2290.34
    benzyl alcohol 1088.01
    2-ethylhexanol 1116.33
    isooctanol 794.12
    dipropyl ether 926.54
    1,2-dichlorobenzene 1880.98
    ethyl lactate 504.84
    propylene carbonate 1914.43
    n-methylformamide 1256.3
    2-pentanol 1744.61
    n-pentane 393.43
    1-propoxy-2-propanol 1393.98
    1-methoxy-2-propyl acetate 1136.24
    2-(2-methoxypropoxy) propanol 873.13
    mesitylene 504.84
    ε-caprolactone 2769.82
    p-cymene 490.03
    epichlorohydrin 3135.09
    1,1,1-trichloroethane 3490.28
    2-aminoethanol 621.24
    morpholine-4-carbaldehyde 1756.3
    sulfolane 2457.86
    2,2,4-trimethylpentane 188.45
    2-methyltetrahydrofuran 2611.1
    n-hexyl acetate 1787.04
    isooctane 160.78
    2-(2-butoxyethoxy)ethanol 1242.17
    sec-butyl acetate 912.38
    tert-butyl acetate 1074.39
    decalin 336.87
    glycerin 468.12
    diglyme 2092.41
    acrylic acid 1184.07
    isopropyl myristate 639.54
    n-butyric acid 2681.66
    acetyl acetate 1064.59
    di(2-ethylhexyl) phthalate 516.38
    ethyl propionate 994.26
    nitromethane 2145.31
    1,2-diethoxyethane 1403.81
    benzonitrile 2254.78
    trioctyl phosphate 400.2
    1-bromopropane 2479.76
    gamma-valerolactone 3100.61
    n-decanol 597.85
    triethyl phosphate 444.67
    4-methyl-2-pentanol 890.55
    propionitrile 2201.39
    vinylene carbonate 1853.69
    1,1,2-trichlorotrifluoroethane 1966.62
    DMS 867.89
    cumene 553.16
    2-octanol 816.09
    2-hexanone 1495.11
    octyl acetate 800.56
    limonene 725.19
    1,2-dimethoxyethane 2226.2
    ethyl orthosilicate 435.96
    tributyl phosphate 513.59
    diacetone alcohol 1040.53
    N,N-dimethylaniline 782.46
    acrylonitrile 2175.4
    aniline 1462.89
    1,3-propanediol 1193.35
    bromobenzene 2743.73
    dibromomethane 4261.98
    1,1,2,2-tetrachloroethane 5403.22
    2-methyl-cyclohexyl acetate 867.04
    tetrabutyl urea 611.0
    diisobutyl methanol 623.27
    2-phenylethanol 1116.76
    styrene 1132.63
    dioctyl adipate 792.76
    dimethyl sulfate 554.58
    ethyl butyrate 1203.25
    methyl lactate 520.9
    butyl lactate 918.67
    diethyl carbonate 811.1
    propanediol butyl ether 1077.91
    triethyl orthoformate 776.99
    p-tert-butyltoluene 473.2
    methyl 4-tert-butylbenzoate 904.2
    morpholine 3148.72
    tert-butylamine 1831.54
    n-dodecanol 436.85
    dimethoxymethane 1045.59
    ethylene carbonate 1689.67
    cyrene 633.03
    2-ethoxyethyl acetate 1156.26
    2-ethylhexyl acetate 1426.97
    1,2,4-trichlorobenzene 1948.0
    4-methylpyridine 3509.36
    dibutyl ether 1278.1
    2,6-dimethyl-4-heptanol 623.27
    DEF 1750.91
    dimethyl isosorbide 1204.42
    tetrachloroethylene 3326.98
    eugenol 908.4
    triacetin 1034.66
    span 80 971.84
    1,4-butanediol 514.12
    1,1-dichloroethane 4251.15
    2-methyl-1-pentanol 1499.1
    methyl formate 912.64
    2-methyl-1-butanol 1931.95
    n-decane 223.13
    butyronitrile 2942.87
    3,7-dimethyl-1-octanol 1012.78
    1-chlorooctane 834.43
    1-chlorotetradecane 300.07
    n-nonane 230.31
    undecane 156.28
    tert-butylcyclohexane 297.83
    cyclooctane 229.87
    cyclopentanol 2079.18
    tetrahydropyran 3451.55
    tert-amyl methyl ether 1242.64
    2,5,8-trioxanonane 1299.21
    1-hexene 1619.19
    2-isopropoxyethanol 872.83
    2,2,2-trifluoroethanol 483.07
    methyl butyrate 1718.15

    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