Nepetariaside

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  • Identifiers

    CAS number
    110344-61-1

    Molecular formula
    C16H28O8

    SMILES
    CC1CCC(C1C(=O)O)C(C)COC2C(C(C(C(O2)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.24%
    Cooling 31.71%
    Mint 26.27%
    Sweet 21.74%
    Milky 21.25%
    Savory 19.48%
    Bitter 17.21%
    Spicy 15.22%
    Creamy 14.26%
    Dry 13.8%

     

    Flavor
    Bitter 46.74%
    Odorless 46.01%
    Sweet 34.68%
    Sweet-like 28.59%
    Fatty 25.5%
    Bland 22.87%
    Cauliflower 21.39%
    Mild 21.27%
    Mentholic 21.06%
    Very slight 20.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    5.19 (weak acid)

    Molecular weight
    348.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1048°C

    Melting point expt.

    • 139 - 141 °C

    Flash point

    • 226.11 ˚C est.

  • Synonyms

    • Nepetariaside
    • CHEBI:175434
    • DTXSID601117101
    • 2-[1-(Hexopyranosyloxy)propan-2-yl]-5-methylcyclopentane-1-carboxylic acid
    • (1S,2R,5S)-2-[(1R)-2-(I(2)-D-Glucopyranosyloxy)-1-methylethyl]-5-methylcyclopentanecarboxylic acid
    • 110344-61-1
    • 2-methyl-5-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]cyclopentane-1-carboxylic acid
    • 110344-61-1

  • Applications

    Nepetariaside (CAS 110344-61-1) is a plant-derived compound that is commonly evaluated as an odorant or fragrance-building block in perfumery, where it can contribute green, herbal notes. It may also serve as a fragrance ingredient in cosmetics and personal care products, and as an aroma precursor for flavor applications in food processing, subject to regulatory compliance. It can also be used as a scent additive for household products such as cleaners and air fresheners. In industrial manufacturing, it may function as an intermediate or starting material for chemical synthesis, depending on purity and formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.56
    methanol 45.71
    isopropanol 2.4
    water 67.52
    ethyl acetate 2.66
    n-propanol 3.05
    acetone 3.27
    n-butanol 3.61
    acetonitrile 1.28
    DMF 21.25
    toluene 0.93
    isobutanol 1.68
    1,4-dioxane 8.45
    methyl acetate 1.35
    THF 14.82
    2-butanone 1.96
    n-pentanol 1.99
    sec-butanol 1.73
    n-hexane 0.17
    ethylene glycol 51.29
    NMP 48.75
    cyclohexane 0.57
    DMSO 253.63
    n-butyl acetate 1.31
    n-octanol 2.05
    chloroform 1.26
    n-propyl acetate 1.04
    acetic acid 52.81
    dichloromethane 1.58
    cyclohexanone 8.23
    propylene glycol 19.58
    isopropyl acetate 2.42
    DMAc 31.19
    2-ethoxyethanol 23.72
    isopentanol 3.27
    n-heptane 0.34
    ethyl formate 2.58
    1,2-dichloroethane 1.83
    n-hexanol 3.03
    2-methoxyethanol 66.4
    isobutyl acetate 0.74
    tetrachloromethane 0.62
    n-pentyl acetate 1.99
    transcutol 45.67
    n-heptanol 3.33
    ethylbenzene 0.6
    MIBK 3.5
    2-propoxyethanol 19.91
    tert-butanol 3.49
    MTBE 1.06
    2-butoxyethanol 12.92
    propionic acid 6.11
    o-xylene 1.32
    formic acid 267.9
    diethyl ether 1.78
    m-xylene 1.41
    p-xylene 0.64
    chlorobenzene 0.57
    dimethyl carbonate 4.7
    n-octane 0.25
    formamide 147.16
    cyclopentanone 11.12
    2-pentanone 3.78
    anisole 1.31
    cyclopentyl methyl ether 5.63
    gamma-butyrolactone 17.09
    1-methoxy-2-propanol 31.12
    pyridine 2.77
    3-pentanone 2.6
    furfural 17.48
    n-dodecane 0.14
    diethylene glycol 57.71
    diisopropyl ether 0.91
    tert-amyl alcohol 2.72
    acetylacetone 10.64
    n-hexadecane 0.16
    acetophenone 2.97
    methyl propionate 3.5
    isopentyl acetate 1.78
    trichloroethylene 2.9
    n-nonanol 2.14
    cyclohexanol 5.06
    benzyl alcohol 3.67
    2-ethylhexanol 1.62
    isooctanol 2.55
    dipropyl ether 1.51
    1,2-dichlorobenzene 0.91
    ethyl lactate 4.26
    propylene carbonate 6.5
    n-methylformamide 15.7
    2-pentanol 2.23
    n-pentane 0.24
    1-propoxy-2-propanol 9.44
    1-methoxy-2-propyl acetate 6.98
    2-(2-methoxypropoxy) propanol 12.03
    mesitylene 1.14
    ε-caprolactone 8.61
    p-cymene 0.92
    epichlorohydrin 11.02
    1,1,1-trichloroethane 0.73
    2-aminoethanol 31.99
    morpholine-4-carbaldehyde 41.96
    sulfolane 69.91
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 4.22
    n-hexyl acetate 2.4
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 18.98
    sec-butyl acetate 0.91
    tert-butyl acetate 3.46
    decalin 0.23
    glycerin 94.54
    diglyme 26.49
    acrylic acid 13.34
    isopropyl myristate 1.04
    n-butyric acid 7.83
    acetyl acetate 3.21
    di(2-ethylhexyl) phthalate 2.5
    ethyl propionate 1.36
    nitromethane 28.13
    1,2-diethoxyethane 3.64
    benzonitrile 1.5
    trioctyl phosphate 2.13
    1-bromopropane 0.64
    gamma-valerolactone 32.34
    n-decanol 1.62
    triethyl phosphate 1.88
    4-methyl-2-pentanol 1.86
    propionitrile 0.75
    vinylene carbonate 5.63
    1,1,2-trichlorotrifluoroethane 32.5
    DMS 3.35
    cumene 0.58
    2-octanol 1.64
    2-hexanone 1.25
    octyl acetate 1.52
    limonene 1.32
    1,2-dimethoxyethane 10.03
    ethyl orthosilicate 1.74
    tributyl phosphate 1.75
    diacetone alcohol 14.26
    N,N-dimethylaniline 1.75
    acrylonitrile 1.68
    aniline 2.21
    1,3-propanediol 34.44
    bromobenzene 0.47
    dibromomethane 1.0
    1,1,2,2-tetrachloroethane 3.07
    2-methyl-cyclohexyl acetate 2.26
    tetrabutyl urea 2.72
    diisobutyl methanol 1.41
    2-phenylethanol 4.31
    styrene 0.47
    dioctyl adipate 2.0
    dimethyl sulfate 16.15
    ethyl butyrate 1.4
    methyl lactate 14.97
    butyl lactate 4.77
    diethyl carbonate 0.96
    propanediol butyl ether 14.59
    triethyl orthoformate 1.76
    p-tert-butyltoluene 0.96
    methyl 4-tert-butylbenzoate 7.5
    morpholine 10.42
    tert-butylamine 1.06
    n-dodecanol 1.17
    dimethoxymethane 16.28
    ethylene carbonate 4.29
    cyrene 23.26
    2-ethoxyethyl acetate 4.4
    2-ethylhexyl acetate 1.23
    1,2,4-trichlorobenzene 1.3
    4-methylpyridine 1.9
    dibutyl ether 0.88
    2,6-dimethyl-4-heptanol 1.41
    DEF 7.57
    dimethyl isosorbide 21.37
    tetrachloroethylene 3.65
    eugenol 8.44
    triacetin 5.79
    span 80 11.24
    1,4-butanediol 11.57
    1,1-dichloroethane 0.57
    2-methyl-1-pentanol 2.01
    methyl formate 12.03
    2-methyl-1-butanol 2.58
    n-decane 0.26
    butyronitrile 0.95
    3,7-dimethyl-1-octanol 1.9
    1-chlorooctane 0.68
    1-chlorotetradecane 0.3
    n-nonane 0.25
    undecane 0.19
    tert-butylcyclohexane 0.15
    cyclooctane 0.44
    cyclopentanol 4.86
    tetrahydropyran 3.09
    tert-amyl methyl ether 1.61
    2,5,8-trioxanonane 24.02
    1-hexene 0.34
    2-isopropoxyethanol 9.8
    2,2,2-trifluoroethanol 30.96
    methyl butyrate 1.76

    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