1-Methylcyclopropanecarboxylic acid

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  • Identifiers

    CAS number
    6914-76-7

    Molecular formula
    C5H8O2

    SMILES
    CC1(CC1)C(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Odorless 41.8%
    Sour 34.03%
    Cheesy 32.93%
    Roasted 24.33%
    Creamy 22.81%
    Milky 22.18%
    Pungent 21.39%
    Sharp 21.11%
    Animal 20.75%
    Dairy 20.06%

     

    Flavor
    Caramel 31.51%
    Sweet 31.4%
    Fruity 30.93%
    Sour 29.81%
    Odorless 29.54%
    Cheese 28.8%
    Strawberry 22.97%
    Musty 22.43%
    Buttery 22.2%
    Roquefort cheese 21.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    6.79 (neutral)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    186°C

    Flash point

    • 77.43 ˚C est.

  • Synonyms

    • 1-Methylcyclopropane-1-carboxylic acid
    • 6914-76-7
    • 1-Methylcyclopropanecarboxylic acid
    • Cyclopropanecarboxylic acid, 1-methyl-
    • EINECS 230-020-7
    • DIZKLZKLNKQFGB-UHFFFAOYSA-
    • DTXSID50219201
    • RefChem:76381
    • DTXCID30141692
    • 230-020-7
    • DIZKLZKLNKQFGB-UHFFFAOYSA-N
    • InChI=1/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
    • 1-Methyl-cyclopropanecarboxylic acid
    • MFCD00001290
    • 1-methylcyclopropanoic acid
    • CHEMBL4516837
    • 1-METHYLCYCLOPROPANE-1-CARBOXYLICACID
    • SCHEMBL113962
    • GTPL6500
    • SCHEMBL3142908
    • SCHEMBL4484782
    • SCHEMBL6177320
    • Methyl-cyclopropanecarboxylic acid
    • 1-methylcyclopropyl carboxylic acid
    • 1-methyl cyclopropanecarboxylic acid
    • 1-methylcyclo-propanecarboxylic acid
    • STR09934
    • Cyclopropanecarboxylicacid,1-methyl-
    • 1-methyl-cyclopropane-carboxylic acid
    • BDBM50527497
    • SBB053429
    • 1-Methyl cyclopropane carboxylic acid
    • AKOS005217440
    • 1-methyl-1-cyclopropyl carboxylic acid
    • AC-5063
    • CS-W000087
    • FM59833
    • PS-9328
    • SB11133
    • 1-methyl-cyclopropane-1-carboxylic acid
    • 1-Methylcyclopropanecarboxylic acid, 98%
    • PD051055
    • SY003983
    • DB-019266
    • M0885
    • NS00036807
    • EN300-78700
    • F066466
    • Q27070809
    • Z1205493633
    • 6914-76-7

  • Applications

    1-Methylcyclopropanecarboxylic acid is primarily used as a synthetic building block and intermediate in organic synthesis. In pharmaceutical and agrochemical research, it serves as a precursor to a range of ester, amide, and other cyclopropane carboxylate derivatives with potential activity. It is viewed as a useful chiral or stereochemically flexible scaffold for developing medicinal chemistry leads and for preparing tailored building blocks that introduce the cyclopropane carboxylate motif. In polymer and plastics chemistry, derivatives of this acid can function as functionalized monomer precursors or crosslinking components to create specialty polymers or coating systems. It is typically employed under controlled conditions in research and industrial synthesis rather than as a standalone active ingredient.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 326.61
    methanol 480.47
    isopropanol 200.77
    water 49.43
    ethyl acetate 75.01
    n-propanol 167.48
    acetone 94.06
    n-butanol 134.6
    acetonitrile 71.29
    DMF 161.52
    toluene 7.17
    isobutanol 121.7
    1,4-dioxane 115.57
    methyl acetate 81.87
    THF 139.18
    2-butanone 70.86
    n-pentanol 119.01
    sec-butanol 153.88
    n-hexane 4.54
    ethylene glycol 156.13
    NMP 90.63
    cyclohexane 2.58
    DMSO 125.71
    n-butyl acetate 35.94
    n-octanol 55.46
    chloroform 52.42
    n-propyl acetate 49.58
    acetic acid 292.24
    dichloromethane 45.61
    cyclohexanone 49.2
    propylene glycol 181.65
    isopropyl acetate 62.83
    DMAc 166.37
    2-ethoxyethanol 275.73
    isopentanol 148.34
    n-heptane 3.22
    ethyl formate 68.96
    1,2-dichloroethane 28.45
    n-hexanol 81.93
    2-methoxyethanol 359.25
    isobutyl acetate 36.87
    tetrachloromethane 15.04
    n-pentyl acetate 43.08
    transcutol 396.24
    n-heptanol 69.84
    ethylbenzene 10.07
    MIBK 72.2
    2-propoxyethanol 172.3
    tert-butanol 242.55
    MTBE 106.91
    2-butoxyethanol 150.5
    propionic acid 131.92
    o-xylene 11.07
    formic acid 355.53
    diethyl ether 55.8
    m-xylene 11.04
    p-xylene 14.28
    chlorobenzene 11.36
    dimethyl carbonate 33.82
    n-octane 2.41
    formamide 447.44
    cyclopentanone 70.79
    2-pentanone 64.54
    anisole 41.63
    cyclopentyl methyl ether 45.79
    gamma-butyrolactone 89.94
    1-methoxy-2-propanol 256.06
    pyridine 39.54
    3-pentanone 31.35
    furfural 90.44
    n-dodecane 2.26
    diethylene glycol 192.73
    diisopropyl ether 26.77
    tert-amyl alcohol 208.65
    acetylacetone 80.29
    n-hexadecane 2.31
    acetophenone 43.07
    methyl propionate 58.46
    isopentyl acetate 46.36
    trichloroethylene 56.7
    n-nonanol 49.0
    cyclohexanol 53.77
    benzyl alcohol 54.84
    2-ethylhexanol 42.07
    isooctanol 64.6
    dipropyl ether 21.14
    1,2-dichlorobenzene 14.25
    ethyl lactate 45.85
    propylene carbonate 62.66
    n-methylformamide 163.67
    2-pentanol 107.94
    n-pentane 4.79
    1-propoxy-2-propanol 96.42
    1-methoxy-2-propyl acetate 62.72
    2-(2-methoxypropoxy) propanol 117.21
    mesitylene 9.67
    ε-caprolactone 64.01
    p-cymene 10.39
    epichlorohydrin 100.76
    1,1,1-trichloroethane 29.3
    2-aminoethanol 259.52
    morpholine-4-carbaldehyde 151.64
    sulfolane 84.19
    2,2,4-trimethylpentane 6.61
    2-methyltetrahydrofuran 90.96
    n-hexyl acetate 58.38
    isooctane 6.36
    2-(2-butoxyethoxy)ethanol 174.1
    sec-butyl acetate 42.63
    tert-butyl acetate 84.05
    decalin 3.52
    glycerin 222.42
    diglyme 241.9
    acrylic acid 115.18
    isopropyl myristate 22.44
    n-butyric acid 134.99
    acetyl acetate 49.68
    di(2-ethylhexyl) phthalate 31.05
    ethyl propionate 37.05
    nitromethane 224.32
    1,2-diethoxyethane 72.57
    benzonitrile 28.25
    trioctyl phosphate 23.4
    1-bromopropane 14.83
    gamma-valerolactone 127.49
    n-decanol 34.41
    triethyl phosphate 18.79
    4-methyl-2-pentanol 92.96
    propionitrile 41.76
    vinylene carbonate 51.29
    1,1,2-trichlorotrifluoroethane 114.11
    DMS 37.97
    cumene 13.69
    2-octanol 46.29
    2-hexanone 51.64
    octyl acetate 30.77
    limonene 12.97
    1,2-dimethoxyethane 188.86
    ethyl orthosilicate 20.09
    tributyl phosphate 23.2
    diacetone alcohol 163.68
    N,N-dimethylaniline 38.08
    acrylonitrile 54.28
    aniline 28.06
    1,3-propanediol 254.34
    bromobenzene 7.9
    dibromomethane 25.33
    1,1,2,2-tetrachloroethane 47.78
    2-methyl-cyclohexyl acetate 34.14
    tetrabutyl urea 28.7
    diisobutyl methanol 32.54
    2-phenylethanol 55.14
    styrene 9.42
    dioctyl adipate 29.89
    dimethyl sulfate 46.69
    ethyl butyrate 28.51
    methyl lactate 69.69
    butyl lactate 48.35
    diethyl carbonate 20.7
    propanediol butyl ether 141.62
    triethyl orthoformate 24.11
    p-tert-butyltoluene 10.85
    methyl 4-tert-butylbenzoate 66.38
    morpholine 154.26
    tert-butylamine 117.97
    n-dodecanol 23.77
    dimethoxymethane 124.47
    ethylene carbonate 40.29
    cyrene 86.51
    2-ethoxyethyl acetate 70.34
    2-ethylhexyl acetate 29.11
    1,2,4-trichlorobenzene 17.6
    4-methylpyridine 36.17
    dibutyl ether 26.16
    2,6-dimethyl-4-heptanol 32.54
    DEF 78.9
    dimethyl isosorbide 111.96
    tetrachloroethylene 42.47
    eugenol 76.85
    triacetin 58.5
    span 80 88.27
    1,4-butanediol 141.83
    1,1-dichloroethane 31.85
    2-methyl-1-pentanol 130.14
    methyl formate 102.81
    2-methyl-1-butanol 124.55
    n-decane 3.42
    butyronitrile 48.71
    3,7-dimethyl-1-octanol 58.78
    1-chlorooctane 12.3
    1-chlorotetradecane 5.48
    n-nonane 3.03
    undecane 2.71
    tert-butylcyclohexane 5.78
    cyclooctane 1.67
    cyclopentanol 70.21
    tetrahydropyran 53.16
    tert-amyl methyl ether 77.72
    2,5,8-trioxanonane 158.87
    1-hexene 14.28
    2-isopropoxyethanol 187.49
    2,2,2-trifluoroethanol 132.85
    methyl butyrate 53.03

    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