Cyclohexylundecanoic acid

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  • Identifiers

    CAS number
    4277-62-7

    Molecular formula
    C17H32O2

    SMILES
    C1CCC(CC1)CCCCCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 75.72%
    Fatty 67.34%
    Oily 35.03%
    Odorless 25.18%
    Creamy 25.07%
    Sweet 24.93%
    Animal 21.83%
    Soapy 21.15%
    Dairy 20.51%
    Balsamic 19.86%

     

    Flavor
    Fatty 62.95%
    Waxy 55.69%
    Mild 37.18%
    Fat 33.13%
    Oily 33.03%
    Coconut 31.9%
    Creamy 29.72%
    Faint 28.8%
    Odorless 28.64%
    Soapy 25.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    7.12 (neutral)

    Molecular weight
    268.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    377°C

    Melting point expt.

    • 55.4 - 56.6 °C

    Flash point

    • 187.19 ˚C est.

  • Synonyms

    • omega-Cyclohexylundecanoic acid
    • 4277-62-7
    • cyclohexylundecanoic acid
    • DTXSID60195421
    • RefChem:919402
    • DTXCID70117912
    • 11-cyclohexylundecanoic acid
    • Cyclohexaneundecanoic acid
    • HF27LHD7WN
    • omega-cyclohexyl undecanoic acid
    • UNII-HF27LHD7WN
    • SCHEMBL769656
    • CHEBI:29736
    • LMFA01140007
    • UNDECANOIC ACID, 11-CYCLOHEXYL-
    • Q2823194
    • 4277-62-7

  • Applications

    Cyclohexylundecanoic acid (CAS 4277-62-7) serves primarily as a synthetic building block and intermediate. It is commonly used to prepare esters such as cyclohexyl undecanoate, which find applications in cosmetics and fragrance formulations. It can also be employed as a monofunctional fatty-acid derivative in polymer and plastics chemistry to influence processing and material properties. In coatings and inks, it may be incorporated as a wax-like additive or plasticizer-type component to adjust gloss, slip, and compatibility. In the fragrance industry, it is often evaluated as a precursor for fragrance compounds and related odorant materials, subject to formulational limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 141.52
    methanol 102.04
    isopropanol 160.74
    water 0.01
    ethyl acetate 176.68
    n-propanol 134.94
    acetone 156.15
    n-butanol 143.28
    acetonitrile 40.18
    DMF 263.92
    toluene 57.52
    isobutanol 121.84
    1,4-dioxane 236.19
    methyl acetate 101.06
    THF 826.6
    2-butanone 177.4
    n-pentanol 109.3
    sec-butanol 126.94
    n-hexane 28.15
    ethylene glycol 6.28
    NMP 381.54
    cyclohexane 54.02
    DMSO 459.24
    n-butyl acetate 259.01
    n-octanol 68.42
    chloroform 322.36
    n-propyl acetate 247.41
    acetic acid 64.87
    dichloromethane 309.66
    cyclohexanone 454.5
    propylene glycol 30.87
    isopropyl acetate 216.77
    DMAc 324.1
    2-ethoxyethanol 199.94
    isopentanol 175.62
    n-heptane 20.71
    ethyl formate 83.73
    1,2-dichloroethane 282.06
    n-hexanol 116.51
    2-methoxyethanol 256.01
    isobutyl acetate 183.76
    tetrachloromethane 74.08
    n-pentyl acetate 249.25
    transcutol 902.92
    n-heptanol 79.34
    ethylbenzene 51.64
    MIBK 243.65
    2-propoxyethanol 249.42
    tert-butanol 234.45
    MTBE 254.36
    2-butoxyethanol 212.11
    propionic acid 85.23
    o-xylene 57.87
    formic acid 14.33
    diethyl ether 172.82
    m-xylene 62.47
    p-xylene 67.8
    chlorobenzene 103.44
    dimethyl carbonate 38.18
    n-octane 8.89
    formamide 31.81
    cyclopentanone 532.5
    2-pentanone 231.62
    anisole 122.65
    cyclopentyl methyl ether 340.64
    gamma-butyrolactone 438.22
    1-methoxy-2-propanol 302.62
    pyridine 187.8
    3-pentanone 140.96
    furfural 285.54
    n-dodecane 5.39
    diethylene glycol 98.83
    diisopropyl ether 93.09
    tert-amyl alcohol 189.09
    acetylacetone 262.11
    n-hexadecane 6.64
    acetophenone 146.02
    methyl propionate 129.3
    isopentyl acetate 280.52
    trichloroethylene 412.97
    n-nonanol 69.44
    cyclohexanol 187.0
    benzyl alcohol 90.09
    2-ethylhexanol 101.66
    isooctanol 89.64
    dipropyl ether 192.31
    1,2-dichlorobenzene 126.58
    ethyl lactate 88.82
    propylene carbonate 235.64
    n-methylformamide 86.49
    2-pentanol 117.55
    n-pentane 16.1
    1-propoxy-2-propanol 260.92
    1-methoxy-2-propyl acetate 259.55
    2-(2-methoxypropoxy) propanol 177.11
    mesitylene 53.41
    ε-caprolactone 375.0
    p-cymene 49.26
    epichlorohydrin 494.9
    1,1,1-trichloroethane 242.59
    2-aminoethanol 41.5
    morpholine-4-carbaldehyde 324.07
    sulfolane 747.68
    2,2,4-trimethylpentane 16.06
    2-methyltetrahydrofuran 468.1
    n-hexyl acetate 229.41
    isooctane 13.96
    2-(2-butoxyethoxy)ethanol 271.13
    sec-butyl acetate 205.37
    tert-butyl acetate 307.91
    decalin 26.23
    glycerin 47.8
    diglyme 542.29
    acrylic acid 43.9
    isopropyl myristate 87.51
    n-butyric acid 230.03
    acetyl acetate 99.28
    di(2-ethylhexyl) phthalate 68.83
    ethyl propionate 176.32
    nitromethane 138.66
    1,2-diethoxyethane 326.63
    benzonitrile 97.83
    trioctyl phosphate 54.99
    1-bromopropane 177.59
    gamma-valerolactone 613.5
    n-decanol 47.27
    triethyl phosphate 98.49
    4-methyl-2-pentanol 99.33
    propionitrile 63.24
    vinylene carbonate 147.67
    1,1,2-trichlorotrifluoroethane 301.15
    DMS 109.2
    cumene 45.78
    2-octanol 64.69
    2-hexanone 226.64
    octyl acetate 99.9
    limonene 86.23
    1,2-dimethoxyethane 391.89
    ethyl orthosilicate 103.68
    tributyl phosphate 75.41
    diacetone alcohol 300.51
    N,N-dimethylaniline 95.69
    acrylonitrile 59.91
    aniline 79.71
    1,3-propanediol 105.93
    bromobenzene 115.13
    dibromomethane 218.0
    1,1,2,2-tetrachloroethane 452.85
    2-methyl-cyclohexyl acetate 188.47
    tetrabutyl urea 106.18
    diisobutyl methanol 78.59
    2-phenylethanol 101.63
    styrene 58.77
    dioctyl adipate 135.67
    dimethyl sulfate 104.07
    ethyl butyrate 221.68
    methyl lactate 75.38
    butyl lactate 170.92
    diethyl carbonate 106.04
    propanediol butyl ether 162.68
    triethyl orthoformate 176.22
    p-tert-butyltoluene 50.96
    methyl 4-tert-butylbenzoate 181.55
    morpholine 400.88
    tert-butylamine 152.57
    n-dodecanol 33.01
    dimethoxymethane 205.39
    ethylene carbonate 147.96
    cyrene 167.84
    2-ethoxyethyl acetate 256.19
    2-ethylhexyl acetate 214.08
    1,2,4-trichlorobenzene 152.3
    4-methylpyridine 179.54
    dibutyl ether 172.47
    2,6-dimethyl-4-heptanol 78.59
    DEF 256.68
    dimethyl isosorbide 356.87
    tetrachloroethylene 270.73
    eugenol 144.27
    triacetin 228.5
    span 80 166.0
    1,4-butanediol 34.05
    1,1-dichloroethane 219.77
    2-methyl-1-pentanol 119.9
    methyl formate 44.89
    2-methyl-1-butanol 135.39
    n-decane 12.88
    butyronitrile 109.15
    3,7-dimethyl-1-octanol 92.81
    1-chlorooctane 67.25
    1-chlorotetradecane 19.66
    n-nonane 12.18
    undecane 7.75
    tert-butylcyclohexane 23.33
    cyclooctane 15.62
    cyclopentanol 198.97
    tetrahydropyran 406.23
    tert-amyl methyl ether 192.09
    2,5,8-trioxanonane 310.46
    1-hexene 87.34
    2-isopropoxyethanol 179.85
    2,2,2-trifluoroethanol 28.18
    methyl butyrate 258.03

    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