Cyclopropanecarboxylic acid

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  • Identifiers

    CAS number
    1759-53-1

    Molecular formula
    C4H6O2

    SMILES
    C1CC1C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 42.81%
    Cheesy 37.3%
    Fruity 35.76%
    Sour 35.31%
    Roasted 30.27%
    Caramellic 28.47%
    Burnt 26.89%
    Sharp 26.78%
    Sulfurous 25.1%
    Savory 23.01%

     

    Flavor
    Odorless 56.68%
    Sour 38.46%
    Faint 25.93%
    Very mild 24.24%
    Yeast 22.38%
    Urine 21.4%
    Mild 21.26%
    Acidic 21.0%
    Formyl 20.77%
    Soy 20.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.02 (neutral)

    Molecular weight
    86.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    184°C

    Flash point

    • 79.84 ˚C est.

  • Synonyms

    • CYCLOPROPANECARBOXYLIC ACID
    • 1759-53-1
    • Carboxycyclopropane
    • Cyclopropylcarboxylic acid
    • Cyclopropionic acid
    • Cyclopropane carboxylic acid
    • NSC-1112
    • DTXSID1040665
    • CHEBI:23500
    • 008803351S
    • CPCA cpd
    • RefChem:581141
    • DTXCID9020665
    • 217-162-5
    • Cyclopropanecarboxylicacid
    • CPC-acid
    • MFCD00001287
    • Cyclopropane-carboxylic acid
    • NSC1112
    • cyclopropyl carboxylic acid
    • NSC 1112
    • EINECS 217-162-5
    • BRN 0969839
    • AI3-30542
    • UNII-008803351S
    • Cyclopropylmethanoic acid
    • cyclopropancarboxylic acid
    • Cyclpropanecarboxylic acid
    • cyclopropan carboxylic acid
    • cyclopropyl-carboxylic acid
    • WLN: L3TJ AVQ
    • SCHEMBL4643
    • 2-cyclopropanecarboxylic acid
    • SCHEMBL49712
    • 4-09-00-00003 (Beilstein Handbook Reference)
    • SCHEMBL197756
    • SCHEMBL386786
    • 8 OLAPARIB IMPURITY 8
    • SCHEMBL7332184
    • SCHEMBL7340145
    • CHEMBL4649900
    • SCHEMBL10800712
    • Cyclopropanecarboxylic acid, 95%
    • BB_SC-06673
    • HY-Y0001
    • STR00627
    • SBB008028
    • STL168574
    • AKOS000119770
    • CS-W018339
    • DB-016122
    • NS00021755
    • EN300-19510
    • F009113
    • Cyclopropanecarboxylic acid, purum, >=98.0% (T)
    • Q2317381
    • F2191-0028
    • InChI=1/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6
    • Oto
    • OU0
    • ZPJ
    • 1759-53-1

  • Applications

    Cyclopropanecarboxylic acid (CAS 1759-53-1) is primarily used as a synthetic building block in organic chemistry, providing cyclopropyl-containing intermediates that support pharmaceutical research and lead-optimization programs; it is routinely converted to esters and amides to enable the preparation of cyclopropyl derivatives. In agrochemical development it serves as a starting material for cyclopropyl carboxylate motifs used in the synthesis of potential actives; in industrial manufacturing it functions as a precursor for specialty chemicals and for further derivatization to functionalized monomers or intermediates for coatings and related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 92.33
    methanol 210.47
    isopropanol 49.79
    water 37.74
    ethyl acetate 10.88
    n-propanol 45.07
    acetone 30.61
    n-butanol 39.51
    acetonitrile 24.52
    DMF 108.72
    toluene 2.16
    isobutanol 35.51
    1,4-dioxane 29.18
    methyl acetate 22.64
    THF 36.62
    2-butanone 20.62
    n-pentanol 37.89
    sec-butanol 36.63
    n-hexane 1.81
    ethylene glycol 52.82
    NMP 82.51
    cyclohexane 0.98
    DMSO 126.59
    n-butyl acetate 10.56
    n-octanol 15.0
    chloroform 17.17
    n-propyl acetate 11.05
    acetic acid 122.45
    dichloromethane 21.69
    cyclohexanone 21.78
    propylene glycol 45.41
    isopropyl acetate 10.13
    DMAc 112.33
    2-ethoxyethanol 77.12
    isopentanol 41.85
    n-heptane 1.1
    ethyl formate 26.27
    1,2-dichloroethane 14.17
    n-hexanol 20.03
    2-methoxyethanol 109.68
    isobutyl acetate 7.32
    tetrachloromethane 5.04
    n-pentyl acetate 16.01
    transcutol 145.92
    n-heptanol 19.02
    ethylbenzene 3.36
    MIBK 14.69
    2-propoxyethanol 40.97
    tert-butanol 53.57
    MTBE 19.99
    2-butoxyethanol 46.81
    propionic acid 51.17
    o-xylene 3.84
    formic acid 169.56
    diethyl ether 10.63
    m-xylene 2.95
    p-xylene 4.78
    chlorobenzene 4.85
    dimethyl carbonate 9.35
    n-octane 0.84
    formamide 214.88
    cyclopentanone 32.8
    2-pentanone 14.3
    anisole 11.62
    cyclopentyl methyl ether 11.96
    gamma-butyrolactone 48.38
    1-methoxy-2-propanol 61.33
    pyridine 21.64
    3-pentanone 8.43
    furfural 61.29
    n-dodecane 0.83
    diethylene glycol 56.1
    diisopropyl ether 4.51
    tert-amyl alcohol 46.41
    acetylacetone 18.77
    n-hexadecane 0.84
    acetophenone 16.32
    methyl propionate 11.79
    isopentyl acetate 13.64
    trichloroethylene 24.73
    n-nonanol 13.34
    cyclohexanol 16.17
    benzyl alcohol 21.99
    2-ethylhexanol 10.99
    isooctanol 17.49
    dipropyl ether 4.96
    1,2-dichlorobenzene 7.41
    ethyl lactate 13.15
    propylene carbonate 27.04
    n-methylformamide 91.38
    2-pentanol 22.84
    n-pentane 1.63
    1-propoxy-2-propanol 24.35
    1-methoxy-2-propyl acetate 14.98
    2-(2-methoxypropoxy) propanol 40.18
    mesitylene 3.03
    ε-caprolactone 25.29
    p-cymene 3.51
    epichlorohydrin 42.92
    1,1,1-trichloroethane 8.37
    2-aminoethanol 80.0
    morpholine-4-carbaldehyde 79.21
    sulfolane 71.6
    2,2,4-trimethylpentane 1.83
    2-methyltetrahydrofuran 23.05
    n-hexyl acetate 18.76
    isooctane 1.24
    2-(2-butoxyethoxy)ethanol 57.55
    sec-butyl acetate 8.16
    tert-butyl acetate 14.06
    decalin 1.28
    glycerin 68.32
    diglyme 91.93
    acrylic acid 58.6
    isopropyl myristate 7.36
    n-butyric acid 43.12
    acetyl acetate 10.5
    di(2-ethylhexyl) phthalate 14.6
    ethyl propionate 7.77
    nitromethane 110.38
    1,2-diethoxyethane 23.16
    benzonitrile 14.47
    trioctyl phosphate 9.41
    1-bromopropane 6.34
    gamma-valerolactone 58.72
    n-decanol 9.65
    triethyl phosphate 6.99
    4-methyl-2-pentanol 19.29
    propionitrile 15.09
    vinylene carbonate 25.4
    1,1,2-trichlorotrifluoroethane 55.46
    DMS 15.03
    cumene 4.41
    2-octanol 12.66
    2-hexanone 13.42
    octyl acetate 10.47
    limonene 4.26
    1,2-dimethoxyethane 67.01
    ethyl orthosilicate 7.01
    tributyl phosphate 10.57
    diacetone alcohol 34.75
    N,N-dimethylaniline 13.85
    acrylonitrile 25.58
    aniline 10.76
    1,3-propanediol 77.1
    bromobenzene 3.45
    dibromomethane 11.92
    1,1,2,2-tetrachloroethane 21.68
    2-methyl-cyclohexyl acetate 11.0
    tetrabutyl urea 14.52
    diisobutyl methanol 8.8
    2-phenylethanol 16.57
    styrene 3.53
    dioctyl adipate 12.47
    dimethyl sulfate 22.58
    ethyl butyrate 7.81
    methyl lactate 21.28
    butyl lactate 22.02
    diethyl carbonate 6.42
    propanediol butyl ether 50.39
    triethyl orthoformate 7.6
    p-tert-butyltoluene 3.3
    methyl 4-tert-butylbenzoate 25.12
    morpholine 41.98
    tert-butylamine 26.83
    n-dodecanol 7.13
    dimethoxymethane 33.5
    ethylene carbonate 18.64
    cyrene 34.4
    2-ethoxyethyl acetate 24.94
    2-ethylhexyl acetate 9.03
    1,2,4-trichlorobenzene 9.21
    4-methylpyridine 17.4
    dibutyl ether 8.83
    2,6-dimethyl-4-heptanol 8.8
    DEF 27.63
    dimethyl isosorbide 41.6
    tetrachloroethylene 20.48
    eugenol 32.68
    triacetin 23.73
    span 80 33.28
    1,4-butanediol 47.7
    1,1-dichloroethane 9.28
    2-methyl-1-pentanol 39.27
    methyl formate 52.48
    2-methyl-1-butanol 38.25
    n-decane 1.17
    butyronitrile 17.45
    3,7-dimethyl-1-octanol 16.02
    1-chlorooctane 4.09
    1-chlorotetradecane 2.11
    n-nonane 1.01
    undecane 0.95
    tert-butylcyclohexane 1.59
    cyclooctane 0.57
    cyclopentanol 23.83
    tetrahydropyran 12.59
    tert-amyl methyl ether 16.19
    2,5,8-trioxanonane 65.29
    1-hexene 5.14
    2-isopropoxyethanol 46.2
    2,2,2-trifluoroethanol 57.1
    methyl butyrate 14.82

    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