Isobutyl cyclopropanecarboxylate

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  • Identifiers

    CAS number
    64969-79-5

    Molecular formula
    C8H14O2

    SMILES
    CC(C)COC(=O)C1CC1

  • Odor profile

    Fragrance
    Fruity 72.28%
    Sweet 45.56%
    Apple 35.73%
    Floral 34.6%
    Oily 32.25%
    Winey 29.76%
    Ethereal 27.05%
    Fermented 26.42%
    Herbal 26.33%
    Pineapple 25.02%

     

    Flavor
    Fruity 69.55%
    Berry 36.86%
    Sweet 36.13%
    Tropical 33.05%
    Pineapple 32.32%
    Fruit 30.55%
    Apple 29.89%
    Grape 26.94%
    Cheese 25.48%
    Green 24.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.92 (neutral)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    169°C

    Flash point

    • 54.03 ˚C est.

  • Synonyms

    • 64969-79-5
    • Isobutyl cyclopropanecarboxylate
    • Cyclopropanecarboxylic acid, 2-methylpropyl ester
    • SCHEMBL6141274
    • Isobutyl cyclopropanecarboxylate #
    • ZIODMHXAGZXTJF-UHFFFAOYSA-N
    • Cyclopropanecarboxylic acid,isobutyl ester

  • Applications

    Isobutyl cyclopropanecarboxylate (CAS 64969-79-5) is commonly used as a fragrance ingredient and odorant in perfumery, serving formulations for personal care products. It may also function as a scent component in household products such as cleaners and surface sprays. In industrial manufacturing, it can act as a solvent or processing aid and may serve as an intermediate in certain chemical syntheses. Its use is generally governed by regulatory guidelines and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1010.09
    methanol 1123.6
    isopropanol 696.59
    water 2.37
    ethyl acetate 356.94
    n-propanol 657.5
    acetone 525.19
    n-butanol 683.97
    acetonitrile 516.4
    DMF 619.96
    toluene 295.9
    isobutanol 512.25
    1,4-dioxane 577.49
    methyl acetate 420.0
    THF 775.84
    2-butanone 558.35
    n-pentanol 593.62
    sec-butanol 641.87
    n-hexane 85.27
    ethylene glycol 207.07
    NMP 527.83
    cyclohexane 101.68
    DMSO 518.61
    n-butyl acetate 614.81
    n-octanol 379.96
    chloroform 1641.22
    n-propyl acetate 429.32
    acetic acid 839.77
    dichloromethane 1338.13
    cyclohexanone 642.88
    propylene glycol 292.1
    isopropyl acetate 269.38
    DMAc 575.06
    2-ethoxyethanol 650.64
    isopentanol 590.19
    n-heptane 70.15
    ethyl formate 442.51
    1,2-dichloroethane 585.07
    n-hexanol 596.01
    2-methoxyethanol 739.95
    isobutyl acetate 296.86
    tetrachloromethane 226.43
    n-pentyl acetate 378.62
    transcutol 1160.74
    n-heptanol 314.23
    ethylbenzene 244.52
    MIBK 295.61
    2-propoxyethanol 671.29
    tert-butanol 619.34
    MTBE 460.62
    2-butoxyethanol 492.99
    propionic acid 483.13
    o-xylene 205.78
    formic acid 342.86
    diethyl ether 321.71
    m-xylene 184.36
    p-xylene 354.16
    chlorobenzene 455.98
    dimethyl carbonate 114.39
    n-octane 40.5
    formamide 407.52
    cyclopentanone 635.31
    2-pentanone 404.56
    anisole 450.0
    cyclopentyl methyl ether 313.12
    gamma-butyrolactone 655.8
    1-methoxy-2-propanol 520.75
    pyridine 795.99
    3-pentanone 264.95
    furfural 819.59
    n-dodecane 41.96
    diethylene glycol 453.49
    diisopropyl ether 127.73
    tert-amyl alcohol 595.11
    acetylacetone 349.97
    n-hexadecane 45.54
    acetophenone 459.23
    methyl propionate 263.13
    isopentyl acetate 567.64
    trichloroethylene 1195.07
    n-nonanol 312.65
    cyclohexanol 442.09
    benzyl alcohol 494.24
    2-ethylhexanol 388.51
    isooctanol 268.09
    dipropyl ether 257.66
    1,2-dichlorobenzene 403.57
    ethyl lactate 222.25
    propylene carbonate 518.4
    n-methylformamide 455.8
    2-pentanol 444.5
    n-pentane 80.38
    1-propoxy-2-propanol 513.06
    1-methoxy-2-propyl acetate 360.34
    2-(2-methoxypropoxy) propanol 415.06
    mesitylene 120.71
    ε-caprolactone 623.04
    p-cymene 183.82
    epichlorohydrin 810.95
    1,1,1-trichloroethane 599.46
    2-aminoethanol 421.58
    morpholine-4-carbaldehyde 616.63
    sulfolane 592.4
    2,2,4-trimethylpentane 55.36
    2-methyltetrahydrofuran 658.89
    n-hexyl acetate 533.01
    isooctane 45.96
    2-(2-butoxyethoxy)ethanol 556.6
    sec-butyl acetate 294.3
    tert-butyl acetate 294.09
    decalin 75.54
    glycerin 314.06
    diglyme 836.28
    acrylic acid 445.17
    isopropyl myristate 206.87
    n-butyric acid 682.33
    acetyl acetate 249.5
    di(2-ethylhexyl) phthalate 223.62
    ethyl propionate 290.36
    nitromethane 699.47
    1,2-diethoxyethane 478.55
    benzonitrile 669.15
    trioctyl phosphate 164.54
    1-bromopropane 487.47
    gamma-valerolactone 800.05
    n-decanol 227.69
    triethyl phosphate 165.09
    4-methyl-2-pentanol 270.63
    propionitrile 472.38
    vinylene carbonate 516.45
    1,1,2-trichlorotrifluoroethane 650.94
    DMS 262.54
    cumene 187.06
    2-octanol 246.99
    2-hexanone 491.66
    octyl acetate 282.66
    limonene 227.87
    1,2-dimethoxyethane 869.27
    ethyl orthosilicate 162.6
    tributyl phosphate 200.12
    diacetone alcohol 363.2
    N,N-dimethylaniline 297.84
    acrylonitrile 565.64
    aniline 365.96
    1,3-propanediol 535.39
    bromobenzene 465.59
    dibromomethane 944.42
    1,1,2,2-tetrachloroethane 926.73
    2-methyl-cyclohexyl acetate 320.67
    tetrabutyl urea 233.41
    diisobutyl methanol 213.21
    2-phenylethanol 447.46
    styrene 329.92
    dioctyl adipate 302.72
    dimethyl sulfate 145.88
    ethyl butyrate 384.08
    methyl lactate 187.28
    butyl lactate 302.92
    diethyl carbonate 273.5
    propanediol butyl ether 464.91
    triethyl orthoformate 248.43
    p-tert-butyltoluene 157.29
    methyl 4-tert-butylbenzoate 317.94
    morpholine 737.29
    tert-butylamine 466.11
    n-dodecanol 174.77
    dimethoxymethane 308.64
    ethylene carbonate 400.0
    cyrene 315.28
    2-ethoxyethyl acetate 399.11
    2-ethylhexyl acetate 429.81
    1,2,4-trichlorobenzene 456.07
    4-methylpyridine 752.37
    dibutyl ether 327.09
    2,6-dimethyl-4-heptanol 213.21
    DEF 425.97
    dimethyl isosorbide 489.88
    tetrachloroethylene 629.7
    eugenol 369.96
    triacetin 369.05
    span 80 400.66
    1,4-butanediol 333.47
    1,1-dichloroethane 721.6
    2-methyl-1-pentanol 567.31
    methyl formate 315.49
    2-methyl-1-butanol 522.71
    n-decane 63.59
    butyronitrile 633.79
    3,7-dimethyl-1-octanol 357.34
    1-chlorooctane 226.93
    1-chlorotetradecane 98.95
    n-nonane 59.68
    undecane 49.43
    tert-butylcyclohexane 75.69
    cyclooctane 36.2
    cyclopentanol 463.33
    tetrahydropyran 585.51
    tert-amyl methyl ether 344.34
    2,5,8-trioxanonane 562.33
    1-hexene 300.71
    2-isopropoxyethanol 478.89
    2,2,2-trifluoroethanol 225.96
    methyl butyrate 481.67

    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