Nepetalic acid

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  • Identifiers

    CAS number
    524-06-1

    Molecular formula
    C10H16O3

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

  • Odor profile

    Odorless 55.14%
    Cooling 26.63%
    Mint 26.04%
    Fruity 23.0%
    Floral 19.64%
    Animal 19.55%
    Fresh 19.44%
    Green 18.98%
    Milky 16.45%
    Woody 15.99%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.21 (neutral)

    Molecular weight
    184.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point est.
    141.62 ˚C

  • Synonyms

    • Nepetalic acid
    • 524-06-1
    • (1R,2S,5R)-2-methyl-5-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carboxylic acid
    • NEPETALICACID
    • 2-(1-Formylethyl)-5-methylcyclopentanecarboxylic acid
    • Cyclopentanecarboxylic acid, 2-(1-formylethyl)-5-methyl-
    • DTXSID40200406
    • RGTMAXSVLBZNEL-RBXMUDONSA-N
    • Cyclopentanecarboxylic acid, 2-methyl-5-(1-methyl-2-oxoethyl)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 865.37
    methanol 1755.41
    isopropanol 882.29
    water 13.89
    ethyl acetate 301.86
    n-propanol 628.53
    acetone 565.12
    n-butanol 420.41
    acetonitrile 385.84
    DMF 529.14
    toluene 59.9
    isobutanol 419.22
    1,4-dioxane 765.04
    methyl acetate 320.13
    THF 1523.03
    2-butanone 347.32
    n-pentanol 216.39
    sec-butanol 387.96
    n-hexane 5.22
    ethylene glycol 257.97
    NMP 497.78
    cyclohexane 5.26
    DMSO 1061.81
    n-butyl acetate 152.6
    n-octanol 69.37
    chloroform 366.19
    n-propyl acetate 123.31
    acetic acid 469.53
    dichloromethane 418.71
    cyclohexanone 422.67
    propylene glycol 290.04
    isopropyl acetate 185.15
    DMAc 237.03
    2-ethoxyethanol 373.12
    isopentanol 292.73
    n-heptane 3.33
    ethyl formate 236.71
    1,2-dichloroethane 329.75
    n-hexanol 250.43
    2-methoxyethanol 800.6
    isobutyl acetate 86.38
    tetrachloromethane 45.14
    n-pentyl acetate 83.87
    transcutol 495.24
    n-heptanol 96.94
    ethylbenzene 32.94
    MIBK 189.08
    2-propoxyethanol 479.81
    tert-butanol 644.62
    MTBE 225.7
    2-butoxyethanol 192.78
    propionic acid 363.55
    o-xylene 44.77
    formic acid 417.98
    diethyl ether 210.25
    m-xylene 68.69
    p-xylene 42.63
    chlorobenzene 113.46
    dimethyl carbonate 85.88
    n-octane 2.48
    formamide 436.56
    cyclopentanone 744.69
    2-pentanone 291.75
    anisole 101.63
    cyclopentyl methyl ether 314.34
    gamma-butyrolactone 899.16
    1-methoxy-2-propanol 577.53
    pyridine 249.48
    3-pentanone 138.97
    furfural 463.53
    n-dodecane 2.55
    diethylene glycol 446.82
    diisopropyl ether 51.0
    tert-amyl alcohol 291.38
    acetylacetone 290.42
    n-hexadecane 2.9
    acetophenone 98.29
    methyl propionate 216.3
    isopentyl acetate 144.72
    trichloroethylene 492.9
    n-nonanol 58.32
    cyclohexanol 223.98
    benzyl alcohol 130.58
    2-ethylhexanol 83.26
    isooctanol 74.58
    dipropyl ether 52.98
    1,2-dichlorobenzene 103.23
    ethyl lactate 83.84
    propylene carbonate 326.59
    n-methylformamide 572.32
    2-pentanol 235.41
    n-pentane 5.37
    1-propoxy-2-propanol 242.78
    1-methoxy-2-propyl acetate 188.27
    2-(2-methoxypropoxy) propanol 121.58
    mesitylene 41.53
    ε-caprolactone 347.57
    p-cymene 26.53
    epichlorohydrin 847.07
    1,1,1-trichloroethane 190.73
    2-aminoethanol 448.93
    morpholine-4-carbaldehyde 445.22
    sulfolane 867.58
    2,2,4-trimethylpentane 5.13
    2-methyltetrahydrofuran 578.79
    n-hexyl acetate 113.81
    isooctane 6.7
    2-(2-butoxyethoxy)ethanol 190.18
    sec-butyl acetate 86.4
    tert-butyl acetate 184.25
    decalin 5.49
    glycerin 342.3
    diglyme 309.22
    acrylic acid 290.31
    isopropyl myristate 39.52
    n-butyric acid 400.23
    acetyl acetate 131.92
    di(2-ethylhexyl) phthalate 53.1
    ethyl propionate 101.55
    nitromethane 708.23
    1,2-diethoxyethane 122.54
    benzonitrile 140.75
    trioctyl phosphate 43.77
    1-bromopropane 122.18
    gamma-valerolactone 757.19
    n-decanol 43.09
    triethyl phosphate 39.8
    4-methyl-2-pentanol 121.22
    propionitrile 265.59
    vinylene carbonate 249.17
    1,1,2-trichlorotrifluoroethane 321.83
    DMS 105.95
    cumene 27.24
    2-octanol 59.15
    2-hexanone 127.37
    octyl acetate 56.12
    limonene 34.14
    1,2-dimethoxyethane 400.39
    ethyl orthosilicate 37.51
    tributyl phosphate 45.48
    diacetone alcohol 266.04
    N,N-dimethylaniline 62.36
    acrylonitrile 326.43
    aniline 133.62
    1,3-propanediol 545.76
    bromobenzene 94.95
    dibromomethane 232.29
    1,1,2,2-tetrachloroethane 324.72
    2-methyl-cyclohexyl acetate 75.69
    tetrabutyl urea 57.84
    diisobutyl methanol 52.46
    2-phenylethanol 140.27
    styrene 35.92
    dioctyl adipate 54.7
    dimethyl sulfate 169.1
    ethyl butyrate 77.8
    methyl lactate 147.17
    butyl lactate 88.09
    diethyl carbonate 51.0
    propanediol butyl ether 158.48
    triethyl orthoformate 52.49
    p-tert-butyltoluene 26.62
    methyl 4-tert-butylbenzoate 105.53
    morpholine 833.14
    tert-butylamine 207.07
    n-dodecanol 30.59
    dimethoxymethane 396.22
    ethylene carbonate 215.85
    cyrene 144.87
    2-ethoxyethyl acetate 128.43
    2-ethylhexyl acetate 91.75
    1,2,4-trichlorobenzene 123.77
    4-methylpyridine 222.05
    dibutyl ether 38.0
    2,6-dimethyl-4-heptanol 52.46
    DEF 191.74
    dimethyl isosorbide 220.23
    tetrachloroethylene 202.45
    eugenol 110.71
    triacetin 93.11
    span 80 109.72
    1,4-butanediol 196.09
    1,1-dichloroethane 311.42
    2-methyl-1-pentanol 150.92
    methyl formate 428.71
    2-methyl-1-butanol 232.79
    n-decane 3.98
    butyronitrile 259.72
    3,7-dimethyl-1-octanol 65.36
    1-chlorooctane 27.05
    1-chlorotetradecane 9.95
    n-nonane 3.59
    undecane 3.09
    tert-butylcyclohexane 6.59
    cyclooctane 2.51
    cyclopentanol 413.44
    tetrahydropyran 439.33
    tert-amyl methyl ether 110.52
    2,5,8-trioxanonane 177.01
    1-hexene 29.28
    2-isopropoxyethanol 225.25
    2,2,2-trifluoroethanol 208.58
    methyl butyrate 139.47

    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