Cyclohexanepropanoic acid

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  • Identifiers

    CAS number
    701-97-3

    Molecular formula
    C9H16O2

    SMILES
    C1CCC(CC1)CCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 54.65%
    Waxy 54.38%
    Cheesy 43.93%
    Animal 37.25%
    Sweet 35.56%
    Honey 35.26%
    Sour 34.78%
    Balsamic 33.02%
    Musk 30.97%
    Dairy 30.13%

     

    Flavor
    Fatty 46.92%
    Cheese 32.61%
    Waxy 31.43%
    Sour 30.82%
    Odorless 29.9%
    Fruity 29.46%
    Oily 25.81%
    Sweet 24.98%
    Mild 23.3%
    Cultured dairy 22.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.92 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    264°C

    Flash point

    • 124.82 ˚C est.

  • Synonyms

    • 3-Cyclohexylpropanoic acid
    • 701-97-3
    • Cyclohexanepropionic acid
    • 3-Cyclohexylpropionic acid
    • Cyclohexanepropanoic acid
    • 3-Cyclohexanepropionic acid
    • CYCLOHEXANE PROPIONIC ACID
    • MFCD00001527
    • Cyclohexylpropionic acid
    • UNII-U36W9HNV6D
    • 3-cyclohexyl-propionic acid
    • U36W9HNV6D
    • EINECS 211-861-9
    • 3-cyclohexanepropanoic acid
    • NSC 404945
    • NSC-404945
    • AI3-14244
    • .beta.-Cyclohexylpropionic acid
    • DTXSID6061028
    • EC 211-861-9
    • 3-CyclohexylpropionicAcid
    • beta-Cyclohexylpropionic acid
    • 2ay2
    • Cyclohexane-propionic acid
    • 3-cyclohexyl propionic acid
    • NCIOpen2_009355
    • cyclohexylethylcarboxylic acid
    • SCHEMBL391087
    • CHEMBL1231997
    • Cyclohexanepropionic acid (8CI)
    • DTXCID2046622
    • 3-Cyclohexanepropionic acid, 99%
    • BCP30878
    • BBL001405
    • NSC404945
    • STL120484
    • AKOS000120080
    • CS-W018002
    • DB02242
    • AC-18300
    • CXP
    • SY035577
    • TS-02075
    • NS00007997
    • EN300-20695
    • H10698
    • 3-Cyclohexylpropanoic acid;3-Cyclohexyl propionic acid
    • Q27093281
    • F2191-0095
    • Z104479892

  • Applications

    Cyclohexanepropanoic acid (CAS 701-97-3) is primarily used as an intermediate in organic synthesis to prepare amides, esters, and other derivatives for pharmaceutical and agrochemical manufacture; it also serves as a building block in fragrance chemistry, providing a precursor for fragrance esters or musk-like aroma compounds; it is used as a starting material for polymers and specialty plastics, enabling polyester or other polymer syntheses with bulky cyclohexylpropyl groups; it finds use in coatings, inks, and adhesives formulations as a reactive intermediate; and in cosmetics/personal care, it may be used as an intermediate in the synthesis of fragrance ingredients or actives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 487.93
    methanol 857.08
    isopropanol 234.05
    water 1.06
    ethyl acetate 424.6
    n-propanol 348.82
    acetone 690.01
    n-butanol 263.23
    acetonitrile 162.85
    DMF 663.43
    toluene 99.42
    isobutanol 245.81
    1,4-dioxane 305.63
    methyl acetate 249.5
    THF 1224.78
    2-butanone 409.11
    n-pentanol 185.26
    sec-butanol 196.88
    n-hexane 19.66
    ethylene glycol 215.21
    NMP 1209.37
    cyclohexane 17.59
    DMSO 1872.48
    n-butyl acetate 411.36
    n-octanol 83.95
    chloroform 231.74
    n-propyl acetate 269.01
    acetic acid 520.46
    dichloromethane 270.56
    cyclohexanone 785.85
    propylene glycol 267.62
    isopropyl acetate 314.24
    DMAc 510.01
    2-ethoxyethanol 384.09
    isopentanol 300.92
    n-heptane 11.38
    ethyl formate 262.85
    1,2-dichloroethane 341.71
    n-hexanol 284.48
    2-methoxyethanol 837.35
    isobutyl acetate 165.4
    tetrachloromethane 72.96
    n-pentyl acetate 183.94
    transcutol 1868.88
    n-heptanol 115.91
    ethylbenzene 71.19
    MIBK 298.65
    2-propoxyethanol 561.6
    tert-butanol 380.4
    MTBE 207.79
    2-butoxyethanol 298.74
    propionic acid 465.1
    o-xylene 88.82
    formic acid 316.99
    diethyl ether 127.69
    m-xylene 115.38
    p-xylene 84.68
    chlorobenzene 175.99
    dimethyl carbonate 168.05
    n-octane 4.11
    formamide 579.78
    cyclopentanone 1576.65
    2-pentanone 465.74
    anisole 191.96
    cyclopentyl methyl ether 522.75
    gamma-butyrolactone 1716.86
    1-methoxy-2-propanol 632.35
    pyridine 349.44
    3-pentanone 260.31
    furfural 1019.94
    n-dodecane 2.84
    diethylene glycol 442.95
    diisopropyl ether 79.42
    tert-amyl alcohol 300.51
    acetylacetone 699.45
    n-hexadecane 3.37
    acetophenone 235.13
    methyl propionate 358.64
    isopentyl acetate 371.92
    trichloroethylene 695.39
    n-nonanol 75.15
    cyclohexanol 267.77
    benzyl alcohol 205.15
    2-ethylhexanol 148.02
    isooctanol 98.37
    dipropyl ether 133.06
    1,2-dichlorobenzene 220.46
    ethyl lactate 156.88
    propylene carbonate 708.1
    n-methylformamide 673.05
    2-pentanol 164.34
    n-pentane 9.55
    1-propoxy-2-propanol 409.4
    1-methoxy-2-propyl acetate 449.78
    2-(2-methoxypropoxy) propanol 292.32
    mesitylene 79.72
    ε-caprolactone 694.07
    p-cymene 55.73
    epichlorohydrin 1175.68
    1,1,1-trichloroethane 255.94
    2-aminoethanol 407.14
    morpholine-4-carbaldehyde 782.72
    sulfolane 2505.37
    2,2,4-trimethylpentane 11.88
    2-methyltetrahydrofuran 733.17
    n-hexyl acetate 264.78
    isooctane 11.59
    2-(2-butoxyethoxy)ethanol 469.11
    sec-butyl acetate 186.93
    tert-butyl acetate 398.92
    decalin 17.63
    glycerin 391.99
    diglyme 763.63
    acrylic acid 410.92
    isopropyl myristate 78.11
    n-butyric acid 628.01
    acetyl acetate 253.93
    di(2-ethylhexyl) phthalate 105.15
    ethyl propionate 241.91
    nitromethane 904.53
    1,2-diethoxyethane 276.44
    benzonitrile 227.39
    trioctyl phosphate 79.36
    1-bromopropane 98.88
    gamma-valerolactone 1435.61
    n-decanol 55.09
    triethyl phosphate 100.96
    4-methyl-2-pentanol 129.31
    propionitrile 172.45
    vinylene carbonate 466.42
    1,1,2-trichlorotrifluoroethane 763.74
    DMS 229.74
    cumene 60.08
    2-octanol 65.75
    2-hexanone 287.16
    octyl acetate 108.91
    limonene 80.98
    1,2-dimethoxyethane 432.51
    ethyl orthosilicate 98.24
    tributyl phosphate 112.01
    diacetone alcohol 597.09
    N,N-dimethylaniline 133.47
    acrylonitrile 278.43
    aniline 233.37
    1,3-propanediol 489.03
    bromobenzene 154.52
    dibromomethane 157.46
    1,1,2,2-tetrachloroethane 567.64
    2-methyl-cyclohexyl acetate 181.68
    tetrabutyl urea 131.44
    diisobutyl methanol 93.33
    2-phenylethanol 219.37
    styrene 78.54
    dioctyl adipate 149.29
    dimethyl sulfate 412.76
    ethyl butyrate 238.54
    methyl lactate 271.44
    butyl lactate 220.8
    diethyl carbonate 143.84
    propanediol butyl ether 339.25
    triethyl orthoformate 155.74
    p-tert-butyltoluene 58.31
    methyl 4-tert-butylbenzoate 232.56
    morpholine 483.06
    tert-butylamine 175.34
    n-dodecanol 38.52
    dimethoxymethane 410.08
    ethylene carbonate 387.18
    cyrene 283.93
    2-ethoxyethyl acetate 308.77
    2-ethylhexyl acetate 256.35
    1,2,4-trichlorobenzene 279.72
    4-methylpyridine 323.3
    dibutyl ether 85.02
    2,6-dimethyl-4-heptanol 93.33
    DEF 428.3
    dimethyl isosorbide 555.78
    tetrachloroethylene 436.56
    eugenol 234.59
    triacetin 262.82
    span 80 253.39
    1,4-butanediol 168.16
    1,1-dichloroethane 207.99
    2-methyl-1-pentanol 187.73
    methyl formate 409.4
    2-methyl-1-butanol 250.56
    n-decane 5.02
    butyronitrile 200.92
    3,7-dimethyl-1-octanol 118.29
    1-chlorooctane 38.33
    1-chlorotetradecane 12.9
    n-nonane 4.71
    undecane 3.7
    tert-butylcyclohexane 18.94
    cyclooctane 7.76
    cyclopentanol 464.01
    tetrahydropyran 320.27
    tert-amyl methyl ether 177.69
    2,5,8-trioxanonane 481.96
    1-hexene 72.15
    2-isopropoxyethanol 261.34
    2,2,2-trifluoroethanol 217.08
    methyl butyrate 340.49

    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