Nagilactone G

Overview IFRA Request a quote

  • Identifiers

    CAS number
    54267-49-1

    Molecular formula
    C19H24O5

    SMILES
    CC(C)[C@@H]1[C@]23[C@H](O2)[C@@H]4[C@@H]5[C@@](C3=CC(=O)O1)(CCC[C@@]5(C(=O)O4)C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.84%
    Woody 34.83%
    Spicy 30.95%
    Sweet 25.33%
    Mint 23.18%
    Lactonic 23.03%
    Nutty 20.52%
    Tobacco 19.67%
    Herbal 19.32%
    Coconut 18.23%

     

    Flavor
    Bitter 93.87%
    Cedarleaf 21.88%
    Sweet-like 19.77%
    Bland 19.47%
    Ripe apricot 19.32%
    Lovage 19.15%
    Red fruit 18.91%
    Parsley 18.9%
    Basil 17.89%
    Nitrile 17.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.83 (weak acid)

    Molecular weight
    332.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    375°C

    Flash point

    • 170.4 ˚C est.

  • Synonyms

    • NAGILACTONE G
    • 2,3-Dihydropodolide
    • Podolactone B, 1,2-deepoxy-3,15,16-trideoxy-
    • NSC 306213
    • 54267-49-1
    • (1S,2R,4R,5R,10S,14S,17R)-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo(8.6.1.02,4.04,9.014,17)heptadec-8-ene-7,15-dione
    • (1S,2R,4R,5R,10S,14S,17R)-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
    • RefChem:164430
    • CHEMBL4206137
    • 54267-49-1

  • Applications

    Nagilactone G (CAS 54267-49-1) is a natural lactone with reported bioactivity, primarily positioned in industrial contexts as a chemical intermediate and building block for the synthesis of lactone-containing and other complex organic compounds; it is commonly evaluated as a lead scaffold for pharmaceutical and agrochemical research, and may be used as an analytical reference standard for natural product analysis; it is also explored as a precursor or specialty component in materials science and related formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.37
    methanol 3.0
    isopropanol 2.39
    water 0.06
    ethyl acetate 11.57
    n-propanol 2.85
    acetone 13.07
    n-butanol 3.48
    acetonitrile 9.8
    DMF 17.84
    toluene 9.75
    isobutanol 2.7
    1,4-dioxane 16.61
    methyl acetate 11.89
    THF 24.29
    2-butanone 15.15
    n-pentanol 3.63
    sec-butanol 1.96
    n-hexane 0.11
    ethylene glycol 1.84
    NMP 43.44
    cyclohexane 0.48
    DMSO 17.07
    n-butyl acetate 13.29
    n-octanol 3.19
    chloroform 23.44
    n-propyl acetate 9.75
    acetic acid 11.54
    dichloromethane 19.35
    cyclohexanone 35.39
    propylene glycol 1.08
    isopropyl acetate 12.99
    DMAc 33.66
    2-ethoxyethanol 9.29
    isopentanol 5.17
    n-heptane 0.14
    ethyl formate 8.52
    1,2-dichloroethane 13.89
    n-hexanol 6.5
    2-methoxyethanol 11.75
    isobutyl acetate 10.98
    tetrachloromethane 4.47
    n-pentyl acetate 12.67
    transcutol 13.92
    n-heptanol 5.24
    ethylbenzene 4.64
    MIBK 13.9
    2-propoxyethanol 20.3
    tert-butanol 3.85
    MTBE 3.24
    2-butoxyethanol 14.39
    propionic acid 6.63
    o-xylene 7.04
    formic acid 6.7
    diethyl ether 3.52
    m-xylene 7.42
    p-xylene 7.33
    chlorobenzene 15.42
    dimethyl carbonate 11.64
    n-octane 0.11
    formamide 9.88
    cyclopentanone 36.73
    2-pentanone 13.1
    anisole 9.12
    cyclopentyl methyl ether 8.59
    gamma-butyrolactone 36.29
    1-methoxy-2-propanol 10.03
    pyridine 25.55
    3-pentanone 11.89
    furfural 38.41
    n-dodecane 0.2
    diethylene glycol 18.36
    diisopropyl ether 2.14
    tert-amyl alcohol 2.77
    acetylacetone 22.45
    n-hexadecane 0.25
    acetophenone 17.48
    methyl propionate 10.98
    isopentyl acetate 17.21
    trichloroethylene 34.1
    n-nonanol 4.19
    cyclohexanol 5.23
    benzyl alcohol 11.78
    2-ethylhexanol 5.19
    isooctanol 5.08
    dipropyl ether 2.67
    1,2-dichlorobenzene 16.24
    ethyl lactate 8.62
    propylene carbonate 22.63
    n-methylformamide 9.4
    2-pentanol 2.12
    n-pentane 0.13
    1-propoxy-2-propanol 11.53
    1-methoxy-2-propyl acetate 20.7
    2-(2-methoxypropoxy) propanol 15.12
    mesitylene 4.6
    ε-caprolactone 26.68
    p-cymene 4.89
    epichlorohydrin 32.22
    1,1,1-trichloroethane 14.59
    2-aminoethanol 2.69
    morpholine-4-carbaldehyde 37.31
    sulfolane 41.35
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 12.29
    n-hexyl acetate 13.04
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 14.98
    sec-butyl acetate 8.93
    tert-butyl acetate 13.7
    decalin 0.57
    glycerin 4.42
    diglyme 25.75
    acrylic acid 9.42
    isopropyl myristate 6.84
    n-butyric acid 11.66
    acetyl acetate 16.97
    di(2-ethylhexyl) phthalate 11.96
    ethyl propionate 9.57
    nitromethane 22.74
    1,2-diethoxyethane 7.25
    benzonitrile 20.9
    trioctyl phosphate 7.89
    1-bromopropane 4.8
    gamma-valerolactone 48.37
    n-decanol 3.14
    triethyl phosphate 9.62
    4-methyl-2-pentanol 3.46
    propionitrile 9.99
    vinylene carbonate 25.59
    1,1,2-trichlorotrifluoroethane 25.33
    DMS 17.0
    cumene 3.96
    2-octanol 2.87
    2-hexanone 10.99
    octyl acetate 8.44
    limonene 4.51
    1,2-dimethoxyethane 14.34
    ethyl orthosilicate 8.48
    tributyl phosphate 8.23
    diacetone alcohol 15.64
    N,N-dimethylaniline 6.93
    acrylonitrile 15.4
    aniline 10.87
    1,3-propanediol 5.55
    bromobenzene 15.2
    dibromomethane 11.9
    1,1,2,2-tetrachloroethane 21.48
    2-methyl-cyclohexyl acetate 15.47
    tetrabutyl urea 12.2
    diisobutyl methanol 3.56
    2-phenylethanol 18.74
    styrene 4.94
    dioctyl adipate 10.66
    dimethyl sulfate 17.91
    ethyl butyrate 9.96
    methyl lactate 9.64
    butyl lactate 11.13
    diethyl carbonate 9.56
    propanediol butyl ether 7.99
    triethyl orthoformate 9.09
    p-tert-butyltoluene 4.16
    methyl 4-tert-butylbenzoate 18.54
    morpholine 14.58
    tert-butylamine 1.72
    n-dodecanol 2.35
    dimethoxymethane 14.56
    ethylene carbonate 21.16
    cyrene 25.79
    2-ethoxyethyl acetate 18.01
    2-ethylhexyl acetate 14.39
    1,2,4-trichlorobenzene 22.49
    4-methylpyridine 24.06
    dibutyl ether 2.29
    2,6-dimethyl-4-heptanol 3.56
    DEF 14.48
    dimethyl isosorbide 28.99
    tetrachloroethylene 16.4
    eugenol 20.09
    triacetin 16.82
    span 80 11.85
    1,4-butanediol 3.4
    1,1-dichloroethane 10.23
    2-methyl-1-pentanol 5.2
    methyl formate 9.08
    2-methyl-1-butanol 3.58
    n-decane 0.28
    butyronitrile 8.49
    3,7-dimethyl-1-octanol 4.45
    1-chlorooctane 1.93
    1-chlorotetradecane 1.12
    n-nonane 0.17
    undecane 0.23
    tert-butylcyclohexane 0.42
    cyclooctane 0.21
    cyclopentanol 5.47
    tetrahydropyran 9.68
    tert-amyl methyl ether 3.07
    2,5,8-trioxanonane 20.97
    1-hexene 0.69
    2-isopropoxyethanol 8.57
    2,2,2-trifluoroethanol 9.31
    methyl butyrate 11.24

    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