Methyl cyclooctanecarboxylate

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  • Identifiers

    CAS number
    3724-54-7

    Molecular formula
    C10H18O2

    SMILES
    COC(=O)C1CCCCCCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 85.3%
    Sweet 65.53%
    Floral 57.14%
    Musk 43.74%
    Waxy 39.61%
    Pineapple 39.57%
    Woody 39.01%
    Berry 36.8%
    Animal 36.62%
    Tropical 34.27%

     

    Flavor
    Fruity 87.06%
    Fruit 53.02%
    Pineapple 50.14%
    Berry 40.81%
    Cheese 32.41%
    Apple 25.86%
    Ester 25.37%
    Tropical 24.6%
    Green 23.59%
    Plant 22.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.04 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point

    • 99.95 ˚C est.

  • Synonyms

    • Methyl cyclooctanecarboxylate
    • 3724-54-7
    • Cyclooctanecarboxylic acid, methyl ester
    • X54JIQ3JK3
    • EINECS 223-075-3
    • UNII-X54JIQ3JK3
    • NSC 119520
    • NSC-119520
    • Methyl cyclooctyl carboxylate
    • DTXSID6063149
    • RefChem:157831
    • DTXCID0039304
    • 223-075-3
    • RGWPTUUKSDBWRA-UHFFFAOYSA-N
    • Cyclooctanecarboxylic acid methyl ester
    • methylcyclooctanecarboxylate
    • Methyl-cyclooctan-carboxylat
    • methyl cyclooctane carboxylate
    • Cyclooctylcarbonsauremethylester
    • Methyl cyclooctanecarboxylate #
    • SCHEMBL6966829
    • SCHEMBL6966832
    • NSC119520
    • AKOS014312577
    • NS00012871
    • E87884
    • EN300-3481941
    • Z1255401208
    • 3724-54-7

  • Applications

    Methyl cyclooctanecarboxylate (CAS 3724-54-7) is commonly used as a fragrance ingredient and odorant in perfumery and cosmetics, providing a long cycloaliphatic note that can contribute to complex scent profiles. It may also function as a specialty solvent or processing aid in coatings, inks, and cleaning formulations where a non-polar ester is desirable. The compound can serve as an intermediate in organic synthesis, enabling the preparation of related aroma chemicals or esters. In household products and air-care formulations, it can be present as a fragrance component to impart lasting aroma. It may also be explored for use in polymers and plastics as a processing aid or scent carrier, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1198.84
    methanol 1371.96
    isopropanol 1156.46
    water 0.39
    ethyl acetate 1261.69
    n-propanol 1103.23
    acetone 1669.61
    n-butanol 911.57
    acetonitrile 1755.24
    DMF 1786.37
    toluene 840.53
    isobutanol 817.3
    1,4-dioxane 2070.69
    methyl acetate 1112.83
    THF 2231.11
    2-butanone 1234.45
    n-pentanol 529.59
    sec-butanol 837.25
    n-hexane 129.17
    ethylene glycol 148.74
    NMP 1609.78
    cyclohexane 418.67
    DMSO 1399.34
    n-butyl acetate 1091.93
    n-octanol 317.47
    chloroform 5834.37
    n-propyl acetate 795.33
    acetic acid 1176.31
    dichloromethane 5091.46
    cyclohexanone 2397.84
    propylene glycol 226.07
    isopropyl acetate 749.63
    DMAc 898.8
    2-ethoxyethanol 597.58
    isopentanol 734.04
    n-heptane 95.71
    ethyl formate 1061.91
    1,2-dichloroethane 2731.13
    n-hexanol 598.39
    2-methoxyethanol 1097.55
    isobutyl acetate 451.34
    tetrachloromethane 910.18
    n-pentyl acetate 677.35
    transcutol 1679.4
    n-heptanol 315.41
    ethylbenzene 372.51
    MIBK 554.65
    2-propoxyethanol 791.77
    tert-butanol 1128.31
    MTBE 861.73
    2-butoxyethanol 539.77
    propionic acid 1039.99
    o-xylene 446.86
    formic acid 294.0
    diethyl ether 1078.41
    m-xylene 457.7
    p-xylene 477.05
    chlorobenzene 1570.4
    dimethyl carbonate 337.72
    n-octane 50.15
    formamide 527.88
    cyclopentanone 2355.16
    2-pentanone 1001.07
    anisole 631.67
    cyclopentyl methyl ether 1049.24
    gamma-butyrolactone 2723.85
    1-methoxy-2-propanol 772.5
    pyridine 2591.47
    3-pentanone 727.77
    furfural 2040.32
    n-dodecane 36.74
    diethylene glycol 462.95
    diisopropyl ether 260.82
    tert-amyl alcohol 752.21
    acetylacetone 990.86
    n-hexadecane 44.03
    acetophenone 600.9
    methyl propionate 839.74
    isopentyl acetate 803.26
    trichloroethylene 5011.98
    n-nonanol 271.93
    cyclohexanol 1125.29
    benzyl alcohol 531.14
    2-ethylhexanol 364.31
    isooctanol 268.12
    dipropyl ether 497.8
    1,2-dichlorobenzene 1247.15
    ethyl lactate 263.16
    propylene carbonate 1562.54
    n-methylformamide 1193.98
    2-pentanol 596.02
    n-pentane 138.56
    1-propoxy-2-propanol 612.88
    1-methoxy-2-propyl acetate 633.19
    2-(2-methoxypropoxy) propanol 360.54
    mesitylene 294.46
    ε-caprolactone 1853.2
    p-cymene 228.45
    epichlorohydrin 2699.3
    1,1,1-trichloroethane 2725.91
    2-aminoethanol 399.54
    morpholine-4-carbaldehyde 1346.2
    sulfolane 2395.35
    2,2,4-trimethylpentane 62.05
    2-methyltetrahydrofuran 1774.13
    n-hexyl acetate 751.01
    isooctane 50.45
    2-(2-butoxyethoxy)ethanol 552.58
    sec-butyl acetate 464.73
    tert-butyl acetate 649.91
    decalin 118.76
    glycerin 293.67
    diglyme 1142.43
    acrylic acid 843.41
    isopropyl myristate 253.67
    n-butyric acid 1577.87
    acetyl acetate 740.04
    di(2-ethylhexyl) phthalate 220.61
    ethyl propionate 612.4
    nitromethane 1867.44
    1,2-diethoxyethane 764.43
    benzonitrile 1190.73
    trioctyl phosphate 173.14
    1-bromopropane 1506.04
    gamma-valerolactone 2368.44
    n-decanol 186.64
    triethyl phosphate 234.62
    4-methyl-2-pentanol 299.63
    propionitrile 1541.79
    vinylene carbonate 1482.64
    1,1,2-trichlorotrifluoroethane 1457.78
    DMS 491.5
    cumene 219.49
    2-octanol 238.65
    2-hexanone 666.04
    octyl acetate 333.93
    limonene 343.67
    1,2-dimethoxyethane 1196.02
    ethyl orthosilicate 234.13
    tributyl phosphate 220.76
    diacetone alcohol 604.23
    N,N-dimethylaniline 353.64
    acrylonitrile 1830.52
    aniline 965.3
    1,3-propanediol 653.9
    bromobenzene 1773.87
    dibromomethane 3372.73
    1,1,2,2-tetrachloroethane 3744.82
    2-methyl-cyclohexyl acetate 401.44
    tetrabutyl urea 277.51
    diisobutyl methanol 236.02
    2-phenylethanol 477.77
    styrene 558.0
    dioctyl adipate 338.5
    dimethyl sulfate 486.19
    ethyl butyrate 640.69
    methyl lactate 352.86
    butyl lactate 418.15
    diethyl carbonate 416.75
    propanediol butyl ether 420.18
    triethyl orthoformate 412.11
    p-tert-butyltoluene 211.19
    methyl 4-tert-butylbenzoate 460.23
    morpholine 2225.92
    tert-butylamine 727.51
    n-dodecanol 135.5
    dimethoxymethane 795.07
    ethylene carbonate 1314.47
    cyrene 365.82
    2-ethoxyethyl acetate 675.62
    2-ethylhexyl acetate 612.19
    1,2,4-trichlorobenzene 1299.97
    4-methylpyridine 1988.11
    dibutyl ether 483.14
    2,6-dimethyl-4-heptanol 236.02
    DEF 1088.92
    dimethyl isosorbide 681.08
    tetrachloroethylene 2620.35
    eugenol 402.21
    triacetin 528.98
    span 80 399.12
    1,4-butanediol 228.94
    1,1-dichloroethane 3007.57
    2-methyl-1-pentanol 445.08
    methyl formate 882.14
    2-methyl-1-butanol 661.48
    n-decane 67.79
    butyronitrile 1492.03
    3,7-dimethyl-1-octanol 305.15
    1-chlorooctane 304.12
    1-chlorotetradecane 102.12
    n-nonane 69.68
    undecane 47.45
    tert-butylcyclohexane 91.6
    cyclooctane 99.42
    cyclopentanol 1211.55
    tetrahydropyran 2261.93
    tert-amyl methyl ether 536.79
    2,5,8-trioxanonane 636.53
    1-hexene 449.75
    2-isopropoxyethanol 424.42
    2,2,2-trifluoroethanol 393.75
    methyl butyrate 949.37

    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