Nepetaside

Overview IFRA Request a quote

  • Identifiers

    CAS number
    114076-56-1

    Molecular formula
    C16H26O8

    SMILES
    C[C@H]1COC(=O)[C@H]2[C@@H]1C[C@H]([C@@H]2C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.93%
    Sweet 25.96%
    Woody 21.31%
    Spicy 21.31%
    Milky 20.82%
    Vanilla 20.24%
    Caramellic 19.85%
    Cooling 19.7%
    Savory 16.92%
    Mint 16.54%

     

    Flavor
    Bitter 60.42%
    Sweet 39.65%
    Fatty 33.92%
    Odorless 33.12%
    Sweet-like 28.4%
    Cauliflower 22.1%
    Alkaline 21.2%
    Cedarleaf 21.13%
    Naphthalic 20.88%
    Mentholic 20.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    5.25 (weak acid)

    Molecular weight
    346.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1260°C

    Flash point

    • 211.63 ˚C est.

  • Synonyms

    • Nepetaside
    • CHEBI:143821
    • RefChem:1092330
    • (-)-Nepetaside
    • 114076-56-1
    • (4R,4aR,6R,7R,7aS)-4,7-dimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
    • orb1990593
    • AKOS040736282
    • (4R,4aR,6R,7R,7aS)-4,7-dimethyl-1-oxooctahydrocyclopenta[c]pyran-6-yl beta-D-glucopyranoside
    • 114076-56-1

  • Applications

    Nepetaside (CAS 114076-56-1) is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing to aroma profiles and formulation stability. It may also serve as an odorant for household products such as air fresheners and cleaners. In industrial contexts, it can be evaluated as a chemical intermediate for organic synthesis and may be used in coatings/inks or polymer/plastic formulations where a distinctive scent is desired, subject to formulation constraints and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.09
    methanol 61.78
    isopropanol 6.68
    water 33.59
    ethyl acetate 3.54
    n-propanol 6.32
    acetone 9.11
    n-butanol 6.72
    acetonitrile 4.01
    DMF 34.27
    toluene 1.11
    isobutanol 3.34
    1,4-dioxane 20.72
    methyl acetate 2.63
    THF 29.31
    2-butanone 3.38
    n-pentanol 3.55
    sec-butanol 3.1
    n-hexane 0.13
    ethylene glycol 48.87
    NMP 27.35
    cyclohexane 0.63
    DMSO 195.98
    n-butyl acetate 2.35
    n-octanol 4.93
    chloroform 3.05
    n-propyl acetate 1.73
    acetic acid 90.75
    dichloromethane 3.02
    cyclohexanone 11.75
    propylene glycol 18.48
    isopropyl acetate 3.21
    DMAc 33.52
    2-ethoxyethanol 39.96
    isopentanol 5.47
    n-heptane 0.34
    ethyl formate 5.85
    1,2-dichloroethane 3.02
    n-hexanol 4.51
    2-methoxyethanol 90.02
    isobutyl acetate 1.22
    tetrachloromethane 1.05
    n-pentyl acetate 3.93
    transcutol 93.7
    n-heptanol 5.86
    ethylbenzene 0.71
    MIBK 4.51
    2-propoxyethanol 26.72
    tert-butanol 5.86
    MTBE 1.46
    2-butoxyethanol 22.36
    propionic acid 8.15
    o-xylene 1.36
    formic acid 226.96
    diethyl ether 2.58
    m-xylene 1.31
    p-xylene 0.92
    chlorobenzene 1.09
    dimethyl carbonate 5.95
    n-octane 0.33
    formamide 152.95
    cyclopentanone 16.16
    2-pentanone 4.95
    anisole 1.94
    cyclopentyl methyl ether 5.55
    gamma-butyrolactone 21.59
    1-methoxy-2-propanol 42.18
    pyridine 6.79
    3-pentanone 2.81
    furfural 25.06
    n-dodecane 0.26
    diethylene glycol 69.73
    diisopropyl ether 1.05
    tert-amyl alcohol 3.68
    acetylacetone 14.69
    n-hexadecane 0.29
    acetophenone 3.91
    methyl propionate 3.66
    isopentyl acetate 2.95
    trichloroethylene 5.43
    n-nonanol 5.13
    cyclohexanol 5.98
    benzyl alcohol 5.76
    2-ethylhexanol 2.36
    isooctanol 4.55
    dipropyl ether 1.96
    1,2-dichlorobenzene 1.44
    ethyl lactate 6.0
    propylene carbonate 8.98
    n-methylformamide 25.88
    2-pentanol 3.24
    n-pentane 0.23
    1-propoxy-2-propanol 13.15
    1-methoxy-2-propyl acetate 8.56
    2-(2-methoxypropoxy) propanol 19.76
    mesitylene 1.16
    ε-caprolactone 11.45
    p-cymene 1.22
    epichlorohydrin 18.62
    1,1,1-trichloroethane 1.4
    2-aminoethanol 36.74
    morpholine-4-carbaldehyde 44.88
    sulfolane 46.77
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 6.54
    n-hexyl acetate 5.05
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 35.14
    sec-butyl acetate 1.27
    tert-butyl acetate 4.05
    decalin 0.24
    glycerin 71.45
    diglyme 50.95
    acrylic acid 15.83
    isopropyl myristate 2.31
    n-butyric acid 12.0
    acetyl acetate 5.21
    di(2-ethylhexyl) phthalate 4.98
    ethyl propionate 1.65
    nitromethane 54.28
    1,2-diethoxyethane 8.17
    benzonitrile 3.65
    trioctyl phosphate 4.1
    1-bromopropane 0.9
    gamma-valerolactone 44.0
    n-decanol 3.76
    triethyl phosphate 2.71
    4-methyl-2-pentanol 2.86
    propionitrile 1.78
    vinylene carbonate 8.69
    1,1,2-trichlorotrifluoroethane 36.37
    DMS 4.92
    cumene 0.69
    2-octanol 3.43
    2-hexanone 2.09
    octyl acetate 3.47
    limonene 1.56
    1,2-dimethoxyethane 22.03
    ethyl orthosilicate 2.43
    tributyl phosphate 3.32
    diacetone alcohol 15.23
    N,N-dimethylaniline 2.15
    acrylonitrile 3.76
    aniline 3.25
    1,3-propanediol 51.2
    bromobenzene 0.81
    dibromomethane 1.79
    1,1,2,2-tetrachloroethane 4.9
    2-methyl-cyclohexyl acetate 3.3
    tetrabutyl urea 5.56
    diisobutyl methanol 2.11
    2-phenylethanol 6.84
    styrene 0.63
    dioctyl adipate 4.56
    dimethyl sulfate 14.82
    ethyl butyrate 2.13
    methyl lactate 15.15
    butyl lactate 7.95
    diethyl carbonate 1.85
    propanediol butyl ether 26.0
    triethyl orthoformate 2.74
    p-tert-butyltoluene 1.17
    methyl 4-tert-butylbenzoate 10.11
    morpholine 22.24
    tert-butylamine 1.82
    n-dodecanol 2.69
    dimethoxymethane 24.79
    ethylene carbonate 7.36
    cyrene 24.44
    2-ethoxyethyl acetate 8.58
    2-ethylhexyl acetate 1.94
    1,2,4-trichlorobenzene 2.02
    4-methylpyridine 3.74
    dibutyl ether 2.21
    2,6-dimethyl-4-heptanol 2.11
    DEF 7.86
    dimethyl isosorbide 26.13
    tetrachloroethylene 5.41
    eugenol 12.93
    triacetin 10.02
    span 80 17.06
    1,4-butanediol 18.22
    1,1-dichloroethane 1.13
    2-methyl-1-pentanol 3.19
    methyl formate 21.36
    2-methyl-1-butanol 3.67
    n-decane 0.46
    butyronitrile 2.48
    3,7-dimethyl-1-octanol 3.83
    1-chlorooctane 1.36
    1-chlorotetradecane 0.66
    n-nonane 0.4
    undecane 0.33
    tert-butylcyclohexane 0.15
    cyclooctane 0.4
    cyclopentanol 6.55
    tetrahydropyran 6.15
    tert-amyl methyl ether 1.61
    2,5,8-trioxanonane 41.82
    1-hexene 0.34
    2-isopropoxyethanol 16.08
    2,2,2-trifluoroethanol 40.75
    methyl butyrate 2.45

    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