Cyclopropanecarboxylic acid, 2-pentyl-, (1R,2S)-rel-

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C9H16O2

    SMILES
    CCCCC[C@H]1C[C@H]1C(=O)O

  • Odor profile

    Herbal 53.65%
    Green 45.38%
    Floral 45.2%
    Jasmin 37.63%
    Spicy 35.29%
    Lactonic 34.51%
    Citrus 34.33%
    Fresh 34.1%
    Waxy 33.72%
    Oily 32.84%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.83 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    259°C

    Flash point est.
    112.6 ˚C

  • Synonyms

    • 58650-45-6
    • Cyclopropanecarboxylic acid, 2-pentyl-, (1R,2S)-rel-
    • DTXSID00886280
    • cis-2-Pentylcyclopropanecarboxylic acid
    • EINECS 261-376-1
    • Cyclopropanecarboxylic acid, 2-pentyl-, cis-
    • SCHEMBL3493155
    • ZWABCHPDBORTSF-JGVFFNPUSA-N
    • DTXCID801025615

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4017.17
    methanol 4629.29
    isopropanol 3167.23
    water 0.4
    ethyl acetate 1762.75
    n-propanol 2622.01
    acetone 3122.7
    n-butanol 2138.74
    acetonitrile 1211.37
    DMF 2553.87
    toluene 220.31
    isobutanol 1881.33
    1,4-dioxane 1900.17
    methyl acetate 1255.75
    THF 3581.42
    2-butanone 1922.17
    n-pentanol 1364.77
    sec-butanol 1711.3
    n-hexane 86.79
    ethylene glycol 590.16
    NMP 1103.11
    cyclohexane 58.78
    DMSO 3392.15
    n-butyl acetate 1231.98
    n-octanol 241.35
    chloroform 1101.22
    n-propyl acetate 1031.42
    acetic acid 1414.6
    dichloromethane 1071.14
    cyclohexanone 1611.43
    propylene glycol 951.07
    isopropyl acetate 1249.08
    DMAc 1083.8
    2-ethoxyethanol 1570.73
    isopentanol 1799.72
    n-heptane 23.4
    ethyl formate 808.21
    1,2-dichloroethane 1028.74
    n-hexanol 1212.61
    2-methoxyethanol 2992.33
    isobutyl acetate 651.61
    tetrachloromethane 137.02
    n-pentyl acetate 432.81
    transcutol 3552.29
    n-heptanol 332.37
    ethylbenzene 136.99
    MIBK 1033.76
    2-propoxyethanol 1863.0
    tert-butanol 2843.12
    MTBE 2088.62
    2-butoxyethanol 715.55
    propionic acid 1152.85
    o-xylene 135.09
    formic acid 562.96
    diethyl ether 1648.32
    m-xylene 195.72
    p-xylene 171.95
    chlorobenzene 332.67
    dimethyl carbonate 298.18
    n-octane 10.18
    formamide 1079.27
    cyclopentanone 2010.65
    2-pentanone 1940.7
    anisole 435.71
    cyclopentyl methyl ether 1334.91
    gamma-butyrolactone 1907.17
    1-methoxy-2-propanol 2369.69
    pyridine 998.69
    3-pentanone 763.05
    furfural 1110.59
    n-dodecane 7.88
    diethylene glycol 1283.8
    diisopropyl ether 451.51
    tert-amyl alcohol 1636.83
    acetylacetone 1465.56
    n-hexadecane 9.28
    acetophenone 381.02
    methyl propionate 1160.42
    isopentyl acetate 1091.8
    trichloroethylene 1473.0
    n-nonanol 204.71
    cyclohexanol 974.08
    benzyl alcohol 455.39
    2-ethylhexanol 449.35
    isooctanol 270.21
    dipropyl ether 451.47
    1,2-dichlorobenzene 285.42
    ethyl lactate 317.74
    propylene carbonate 891.67
    n-methylformamide 1775.32
    2-pentanol 1315.76
    n-pentane 58.03
    1-propoxy-2-propanol 1096.03
    1-methoxy-2-propyl acetate 1013.33
    2-(2-methoxypropoxy) propanol 471.84
    mesitylene 131.96
    ε-caprolactone 1277.18
    p-cymene 83.32
    epichlorohydrin 2163.61
    1,1,1-trichloroethane 613.25
    2-aminoethanol 1462.26
    morpholine-4-carbaldehyde 1230.6
    sulfolane 1670.69
    2,2,4-trimethylpentane 41.16
    2-methyltetrahydrofuran 2354.55
    n-hexyl acetate 547.49
    isooctane 47.39
    2-(2-butoxyethoxy)ethanol 811.93
    sec-butyl acetate 706.45
    tert-butyl acetate 1190.7
    decalin 39.38
    glycerin 875.04
    diglyme 1285.34
    acrylic acid 734.24
    isopropyl myristate 158.14
    n-butyric acid 1939.05
    acetyl acetate 562.53
    di(2-ethylhexyl) phthalate 162.84
    ethyl propionate 658.05
    nitromethane 1956.62
    1,2-diethoxyethane 1079.86
    benzonitrile 487.75
    trioctyl phosphate 119.32
    1-bromopropane 551.19
    gamma-valerolactone 2183.38
    n-decanol 145.36
    triethyl phosphate 145.16
    4-methyl-2-pentanol 696.75
    propionitrile 1009.35
    vinylene carbonate 643.84
    1,1,2-trichlorotrifluoroethane 1072.88
    DMS 386.85
    cumene 106.64
    2-octanol 203.74
    2-hexanone 1126.86
    octyl acetate 206.84
    limonene 141.68
    1,2-dimethoxyethane 1948.73
    ethyl orthosilicate 154.81
    tributyl phosphate 153.63
    diacetone alcohol 1383.92
    N,N-dimethylaniline 243.83
    acrylonitrile 1024.05
    aniline 524.56
    1,3-propanediol 1863.39
    bromobenzene 291.36
    dibromomethane 684.79
    1,1,2,2-tetrachloroethane 1171.46
    2-methyl-cyclohexyl acetate 327.97
    tetrabutyl urea 183.3
    diisobutyl methanol 252.84
    2-phenylethanol 478.74
    styrene 185.35
    dioctyl adipate 219.63
    dimethyl sulfate 387.37
    ethyl butyrate 511.2
    methyl lactate 521.2
    butyl lactate 356.96
    diethyl carbonate 261.17
    propanediol butyl ether 668.98
    triethyl orthoformate 289.98
    p-tert-butyltoluene 88.97
    methyl 4-tert-butylbenzoate 273.25
    morpholine 2959.61
    tert-butylamine 1467.58
    n-dodecanol 103.65
    dimethoxymethane 1608.64
    ethylene carbonate 619.74
    cyrene 398.27
    2-ethoxyethyl acetate 680.25
    2-ethylhexyl acetate 709.63
    1,2,4-trichlorobenzene 356.43
    4-methylpyridine 971.41
    dibutyl ether 311.16
    2,6-dimethyl-4-heptanol 252.84
    DEF 1318.95
    dimethyl isosorbide 654.66
    tetrachloroethylene 715.87
    eugenol 317.23
    triacetin 373.18
    span 80 408.94
    1,4-butanediol 691.14
    1,1-dichloroethane 1013.5
    2-methyl-1-pentanol 1033.73
    methyl formate 826.22
    2-methyl-1-butanol 1384.24
    n-decane 13.95
    butyronitrile 1295.84
    3,7-dimethyl-1-octanol 317.15
    1-chlorooctane 101.62
    1-chlorotetradecane 31.72
    n-nonane 12.84
    undecane 10.01
    tert-butylcyclohexane 47.47
    cyclooctane 16.95
    cyclopentanol 1298.14
    tetrahydropyran 2093.57
    tert-amyl methyl ether 961.14
    2,5,8-trioxanonane 724.43
    1-hexene 444.16
    2-isopropoxyethanol 1099.99
    2,2,2-trifluoroethanol 327.17
    methyl butyrate 978.29

    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

Botanical

Name CAS Botanical Proportion
Spearmint, scotch (Japan) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 2.98%