Cyclopentanecarboxylic acid

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  • Identifiers

    CAS number
    3400-45-1

    Molecular formula
    C6H10O2

    SMILES
    C1CCC(C1)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 69.27%
    Cheesy 58.16%
    Tropical 38.87%
    Sour 36.37%
    Sweaty 30.73%
    Animal 29.77%
    Sharp 26.82%
    Caramellic 26.51%
    Ripe 24.27%
    Fermented 24.27%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    214°C

    Flash point est.
    101.31 ˚C

  • Synonyms

    • Cyclopentanecarboxylic acid
    • 3400-45-1
    • CYCLOPENTANE CARBOXYLIC ACID
    • Cyclopentylcarboxylic acid
    • Cyclopentancarboxylic Acid
    • MFCD00001371
    • UNII-Z6691VH94A
    • Z6691VH94A
    • Cyclopentylmethanoic acid
    • EINECS 222-269-5
    • NSC-59714
    • DTXSID70187610
    • CYCLOPENTANE,CARBOXYLIC ACID
    • NSC 59714
    • Cyclopentanoic acid
    • Cyclopentanoic Acid; Cyclopentylcarboxylic Acid; NSC 59714;
    • Cyclopentanecarboxylicacid
    • cyclopentyl carboxylic acid
    • cyclo-pentanecarboxylic acid
    • cyclopentancarbonsäure
    • SAMPL4, O8
    • SCHEMBL18504
    • CHEMBL1902018
    • Cyclopentanecarboxylic acid, 99%
    • DTXCID30110101
    • CHEBI:230335
    • BDBM197307
    • BCP23229
    • NSC59714
    • STR06378
    • STL168521
    • AKOS000119717
    • AB00138
    • CS-W007448
    • PS-4047
    • NCGC00186409-01
    • NCGC00186409-02
    • NCGC00186409-03
    • SY003129
    • CYCLOPENTANE CARBOXYLIC ACID [INCI]
    • DB-016120
    • NS00013543
    • EN300-19928
    • Q27295058
    • F2191-0049
    • Z104476116
    • 222-269-5
    • 663-788-0
    • IQ0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 276.69
    methanol 654.41
    isopropanol 147.94
    water 15.23
    ethyl acetate 80.22
    n-propanol 164.16
    acetone 109.2
    n-butanol 132.36
    acetonitrile 66.62
    DMF 158.29
    toluene 11.94
    isobutanol 119.84
    1,4-dioxane 195.28
    methyl acetate 73.01
    THF 383.86
    2-butanone 71.22
    n-pentanol 108.53
    sec-butanol 101.14
    n-hexane 12.27
    ethylene glycol 137.75
    NMP 364.48
    cyclohexane 9.14
    DMSO 349.31
    n-butyl acetate 127.81
    n-octanol 92.56
    chloroform 194.22
    n-propyl acetate 80.05
    acetic acid 605.09
    dichloromethane 146.71
    cyclohexanone 174.89
    propylene glycol 130.06
    isopropyl acetate 68.3
    DMAc 109.12
    2-ethoxyethanol 167.91
    isopentanol 119.98
    n-heptane 9.65
    ethyl formate 88.04
    1,2-dichloroethane 94.05
    n-hexanol 158.52
    2-methoxyethanol 272.09
    isobutyl acetate 62.68
    tetrachloromethane 23.94
    n-pentyl acetate 94.68
    transcutol 667.57
    n-heptanol 92.42
    ethylbenzene 14.96
    MIBK 81.35
    2-propoxyethanol 245.84
    tert-butanol 176.0
    MTBE 63.66
    2-butoxyethanol 164.93
    propionic acid 251.42
    o-xylene 16.42
    formic acid 359.83
    diethyl ether 56.17
    m-xylene 18.83
    p-xylene 22.77
    chlorobenzene 54.08
    dimethyl carbonate 34.48
    n-octane 5.75
    formamide 287.47
    cyclopentanone 264.92
    2-pentanone 78.69
    anisole 49.88
    cyclopentyl methyl ether 115.78
    gamma-butyrolactone 431.6
    1-methoxy-2-propanol 197.87
    pyridine 90.6
    3-pentanone 45.37
    furfural 289.76
    n-dodecane 5.88
    diethylene glycol 228.67
    diisopropyl ether 30.48
    tert-amyl alcohol 126.6
    acetylacetone 116.59
    n-hexadecane 6.33
    acetophenone 68.33
    methyl propionate 67.69
    isopentyl acetate 122.22
    trichloroethylene 209.07
    n-nonanol 78.9
    cyclohexanol 107.69
    benzyl alcohol 67.64
    2-ethylhexanol 80.83
    isooctanol 77.45
    dipropyl ether 55.52
    1,2-dichlorobenzene 69.95
    ethyl lactate 60.58
    propylene carbonate 225.22
    n-methylformamide 175.72
    2-pentanol 87.8
    n-pentane 8.52
    1-propoxy-2-propanol 175.42
    1-methoxy-2-propyl acetate 123.18
    2-(2-methoxypropoxy) propanol 144.96
    mesitylene 19.43
    ε-caprolactone 192.98
    p-cymene 22.81
    epichlorohydrin 264.23
    1,1,1-trichloroethane 69.07
    2-aminoethanol 207.22
    morpholine-4-carbaldehyde 268.03
    sulfolane 513.4
    2,2,4-trimethylpentane 8.23
    2-methyltetrahydrofuran 200.02
    n-hexyl acetate 146.02
    isooctane 9.58
    2-(2-butoxyethoxy)ethanol 236.38
    sec-butyl acetate 53.66
    tert-butyl acetate 100.4
    decalin 8.79
    glycerin 207.28
    diglyme 302.77
    acrylic acid 260.85
    isopropyl myristate 55.72
    n-butyric acid 237.01
    acetyl acetate 71.38
    di(2-ethylhexyl) phthalate 68.08
    ethyl propionate 57.92
    nitromethane 395.93
    1,2-diethoxyethane 117.32
    benzonitrile 86.61
    trioctyl phosphate 56.68
    1-bromopropane 39.71
    gamma-valerolactone 336.86
    n-decanol 58.94
    triethyl phosphate 40.69
    4-methyl-2-pentanol 73.45
    propionitrile 57.89
    vinylene carbonate 180.75
    1,1,2-trichlorotrifluoroethane 228.19
    DMS 92.82
    cumene 19.72
    2-octanol 66.26
    2-hexanone 82.06
    octyl acetate 74.67
    limonene 33.22
    1,2-dimethoxyethane 160.92
    ethyl orthosilicate 40.37
    tributyl phosphate 64.17
    diacetone alcohol 155.38
    N,N-dimethylaniline 42.24
    acrylonitrile 86.87
    aniline 46.8
    1,3-propanediol 221.05
    bromobenzene 41.15
    dibromomethane 87.55
    1,1,2,2-tetrachloroethane 184.25
    2-methyl-cyclohexyl acetate 79.7
    tetrabutyl urea 77.6
    diisobutyl methanol 53.72
    2-phenylethanol 91.26
    styrene 16.34
    dioctyl adipate 80.89
    dimethyl sulfate 83.05
    ethyl butyrate 76.47
    methyl lactate 82.24
    butyl lactate 107.91
    diethyl carbonate 48.15
    propanediol butyl ether 199.99
    triethyl orthoformate 57.9
    p-tert-butyltoluene 23.44
    methyl 4-tert-butylbenzoate 112.29
    morpholine 221.04
    tert-butylamine 102.17
    n-dodecanol 45.01
    dimethoxymethane 103.23
    ethylene carbonate 139.08
    cyrene 129.29
    2-ethoxyethyl acetate 119.17
    2-ethylhexyl acetate 86.62
    1,2,4-trichlorobenzene 88.97
    4-methylpyridine 70.06
    dibutyl ether 63.34
    2,6-dimethyl-4-heptanol 53.72
    DEF 84.74
    dimethyl isosorbide 218.47
    tetrachloroethylene 134.45
    eugenol 121.3
    triacetin 127.57
    span 80 157.1
    1,4-butanediol 109.96
    1,1-dichloroethane 69.96
    2-methyl-1-pentanol 94.91
    methyl formate 126.36
    2-methyl-1-butanol 97.74
    n-decane 9.25
    butyronitrile 70.06
    3,7-dimethyl-1-octanol 84.44
    1-chlorooctane 39.37
    1-chlorotetradecane 15.66
    n-nonane 8.79
    undecane 7.07
    tert-butylcyclohexane 10.43
    cyclooctane 4.38
    cyclopentanol 174.8
    tetrahydropyran 130.38
    tert-amyl methyl ether 50.59
    2,5,8-trioxanonane 216.67
    1-hexene 33.09
    2-isopropoxyethanol 118.8
    2,2,2-trifluoroethanol 174.64
    methyl butyrate 86.25

    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