2-Cyclohexylpropionic acid

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  • Identifiers

    CAS number
    6051-13-4

    Molecular formula
    C9H16O2

    SMILES
    CC(C1CCCCC1)C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 49.58%
    Cheesy 47.51%
    Fatty 36.3%
    Animal 35.52%
    Waxy 34.62%
    Sour 33.18%
    Tropical 31.61%
    Sweaty 29.83%
    Dairy 28.78%
    Milky 27.55%

     

    Flavor
    Fruity 36.34%
    Odorless 29.06%
    Fatty 28.09%
    Cheese 26.86%
    Sour 23.33%
    Mild 21.46%
    Animal 21.31%
    Tropical 20.94%
    Oily 20.92%
    Stinky 20.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.81 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    257°C

    Flash point

    • 127.11 ˚C est.

  • Synonyms

    • 2-cyclohexylpropanoic acid
    • 6051-13-4
    • 2-Cyclohexylpropionic acid
    • EINECS 227-956-3
    • DTXSID301310992
    • NSC 225250
    • RefChem:470957
    • DTXCID001740823
    • 227-956-3
    • 2-cyclohexyl-propionic acid
    • MFCD00268172
    • cyclohexaneacetic acid, alpha-methyl-
    • Cyclohexylpropionsaure
    • NSC-225250
    • 2-cyclohexylpropanoicacid
    • SCHEMBL668002
    • SCHEMBL2401244
    • SCHEMBL3038751
    • SCHEMBL3339255
    • SCHEMBL3630560
    • SCHEMBL7028762
    • SCHEMBL21085159
    • ALBB-016718
    • NSC225250
    • AKOS010488663
    • CS-W021685
    • DS-4886
    • SB36735
    • SB36788
    • FC125422
    • SY271443
    • DB-260964
    • NS00044954
    • C75828
    • EN300-132455
    • F312611
    • 6051-13-4

  • Applications

    2-Cyclohexylpropionic acid (CAS 6051-13-4) is primarily used as a chemical intermediate in the synthesis of chiral building blocks for pharmaceuticals and agrochemicals, enabling downstream transformations such as the formation of amides or esters. It is also employed in fragrance and cosmetics applications as a precursor to esters and other derivatives that can function as aroma compounds or fixatives. In industrial manufacturing, it serves as a reactive acid component in polyester and polyurethane formulations, contributing to polymer properties. Additionally, it may be evaluated as a starting material for specialty coatings and inks, where its bulky cyclohexyl moiety influences hydrophobicity and compatibility. Depending on formulation, it may be used in cleaning product formulations where carboxylic acids help adjust pH or act as processing aids. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 554.4
    methanol 458.96
    isopropanol 717.87
    water 1.23
    ethyl acetate 281.63
    n-propanol 489.19
    acetone 443.87
    n-butanol 416.84
    acetonitrile 359.56
    DMF 616.27
    toluene 104.66
    isobutanol 397.13
    1,4-dioxane 683.92
    methyl acetate 284.29
    THF 922.73
    2-butanone 359.25
    n-pentanol 233.62
    sec-butanol 422.66
    n-hexane 23.83
    ethylene glycol 109.64
    NMP 501.91
    cyclohexane 40.91
    DMSO 761.96
    n-butyl acetate 298.21
    n-octanol 149.05
    chloroform 810.11
    n-propyl acetate 156.01
    acetic acid 280.73
    dichloromethane 776.76
    cyclohexanone 566.85
    propylene glycol 182.39
    isopropyl acetate 192.33
    DMAc 325.12
    2-ethoxyethanol 244.45
    isopentanol 347.3
    n-heptane 22.38
    ethyl formate 229.05
    1,2-dichloroethane 470.0
    n-hexanol 363.58
    2-methoxyethanol 475.15
    isobutyl acetate 111.58
    tetrachloromethane 112.18
    n-pentyl acetate 163.3
    transcutol 596.76
    n-heptanol 180.66
    ethylbenzene 70.84
    MIBK 193.42
    2-propoxyethanol 452.86
    tert-butanol 653.82
    MTBE 315.5
    2-butoxyethanol 252.47
    propionic acid 337.03
    o-xylene 95.93
    formic acid 101.61
    diethyl ether 249.03
    m-xylene 100.79
    p-xylene 94.08
    chlorobenzene 219.5
    dimethyl carbonate 74.51
    n-octane 13.38
    formamide 164.55
    cyclopentanone 730.67
    2-pentanone 298.91
    anisole 146.9
    cyclopentyl methyl ether 292.13
    gamma-butyrolactone 779.27
    1-methoxy-2-propanol 431.79
    pyridine 397.66
    3-pentanone 183.11
    furfural 488.55
    n-dodecane 12.12
    diethylene glycol 294.07
    diisopropyl ether 86.95
    tert-amyl alcohol 355.44
    acetylacetone 280.43
    n-hexadecane 13.83
    acetophenone 137.78
    methyl propionate 202.55
    isopentyl acetate 262.55
    trichloroethylene 752.76
    n-nonanol 125.52
    cyclohexanol 302.69
    benzyl alcohol 140.43
    2-ethylhexanol 178.53
    isooctanol 140.45
    dipropyl ether 159.88
    1,2-dichlorobenzene 210.84
    ethyl lactate 91.71
    propylene carbonate 369.42
    n-methylformamide 377.41
    2-pentanol 273.72
    n-pentane 24.36
    1-propoxy-2-propanol 349.33
    1-methoxy-2-propyl acetate 242.96
    2-(2-methoxypropoxy) propanol 186.37
    mesitylene 77.9
    ε-caprolactone 419.66
    p-cymene 70.35
    epichlorohydrin 736.22
    1,1,1-trichloroethane 369.4
    2-aminoethanol 259.01
    morpholine-4-carbaldehyde 452.7
    sulfolane 810.64
    2,2,4-trimethylpentane 19.97
    2-methyltetrahydrofuran 533.12
    n-hexyl acetate 208.72
    isooctane 20.85
    2-(2-butoxyethoxy)ethanol 284.35
    sec-butyl acetate 111.59
    tert-butyl acetate 215.18
    decalin 24.0
    glycerin 201.83
    diglyme 440.5
    acrylic acid 240.19
    isopropyl myristate 86.01
    n-butyric acid 438.9
    acetyl acetate 141.16
    di(2-ethylhexyl) phthalate 93.28
    ethyl propionate 131.44
    nitromethane 444.54
    1,2-diethoxyethane 225.66
    benzonitrile 224.21
    trioctyl phosphate 80.43
    1-bromopropane 264.39
    gamma-valerolactone 733.67
    n-decanol 96.59
    triethyl phosphate 72.76
    4-methyl-2-pentanol 163.91
    propionitrile 330.48
    vinylene carbonate 298.93
    1,1,2-trichlorotrifluoroethane 337.73
    DMS 133.89
    cumene 62.64
    2-octanol 119.08
    2-hexanone 166.44
    octyl acetate 109.05
    limonene 101.67
    1,2-dimethoxyethane 367.11
    ethyl orthosilicate 71.62
    tributyl phosphate 84.83
    diacetone alcohol 280.36
    N,N-dimethylaniline 105.23
    acrylonitrile 375.28
    aniline 180.33
    1,3-propanediol 359.13
    bromobenzene 209.62
    dibromomethane 504.25
    1,1,2,2-tetrachloroethane 612.54
    2-methyl-cyclohexyl acetate 138.54
    tetrabutyl urea 108.59
    diisobutyl methanol 115.75
    2-phenylethanol 186.33
    styrene 80.25
    dioctyl adipate 110.76
    dimethyl sulfate 144.94
    ethyl butyrate 168.67
    methyl lactate 131.71
    butyl lactate 152.1
    diethyl carbonate 100.73
    propanediol butyl ether 226.92
    triethyl orthoformate 112.36
    p-tert-butyltoluene 72.61
    methyl 4-tert-butylbenzoate 186.33
    morpholine 757.78
    tert-butylamine 362.59
    n-dodecanol 74.76
    dimethoxymethane 287.72
    ethylene carbonate 261.84
    cyrene 172.62
    2-ethoxyethyl acetate 185.43
    2-ethylhexyl acetate 181.67
    1,2,4-trichlorobenzene 235.25
    4-methylpyridine 326.09
    dibutyl ether 115.37
    2,6-dimethyl-4-heptanol 115.75
    DEF 274.43
    dimethyl isosorbide 310.23
    tetrachloroethylene 371.83
    eugenol 170.38
    triacetin 156.59
    span 80 198.32
    1,4-butanediol 140.17
    1,1-dichloroethane 510.6
    2-methyl-1-pentanol 194.32
    methyl formate 231.28
    2-methyl-1-butanol 284.47
    n-decane 18.76
    butyronitrile 336.46
    3,7-dimethyl-1-octanol 143.29
    1-chlorooctane 87.95
    1-chlorotetradecane 35.55
    n-nonane 17.61
    undecane 14.86
    tert-butylcyclohexane 24.86
    cyclooctane 14.31
    cyclopentanol 444.48
    tetrahydropyran 554.54
    tert-amyl methyl ether 173.09
    2,5,8-trioxanonane 293.78
    1-hexene 95.97
    2-isopropoxyethanol 188.56
    2,2,2-trifluoroethanol 114.47
    methyl butyrate 191.93

    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