Pterosin N

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  • Identifiers

    CAS number
    54797-11-4

    Molecular formula
    C14H18O3

    SMILES
    CC1=CC2=C(C(=C1CCO)C)C(=O)C(C2)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 61.9%
    Musk 46.94%
    Powdery 43.66%
    Floral 37.31%
    Dry 33.91%
    Vanilla 32.02%
    Creamy 30.86%
    Woody 29.36%
    Fatty 26.49%
    Balsamic 25.48%

     

    Flavor
    Bitter 60.24%
    Sweet 29.12%
    Odorless 25.88%
    Mild 24.8%
    Woody 23.12%
    Powdery 22.58%
    Sweet-like 21.73%
    Parsley 20.76%
    Eugenol 20.74%
    Orange flower 20.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.52 (weak base)

    Molecular weight
    234.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    564°C

    Melting point expt.

    • 165 - 167 °C

    Flash point

    • 187.54 ˚C est.

  • Synonyms

    • Pterosin N
    • 54797-11-4
    • 2-Hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-Dihydro-1H-inden-1-one
    • DTXSID20970135
    • 1H-Inden-1-one, 2,3-dihydro-2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-
    • RefChem:177129
    • DTXCID501397673
    • 2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-3H-inden-1-one
    • SCHEMBL29717665
    • CHEBI:191606
    • 2,3-Dihydro-2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1h-inden-1-one
    • DB-292170
    • 2-Hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1-indanone
    • 2,3-Dihydro-2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1H-inden-1-one, 9CI
    • 54797-11-4

  • Applications

    Pterosin N, CAS 54797-11-4, is primarily considered a synthetic intermediate and a reference compound in organic synthesis and natural product chemistry. In industrial practice, it may be used in pharmaceutical and agrochemical R&D as a starting point for the preparation of pterosin derivatives and other polycyclic compounds, as an analytical reference material for natural product isolation or synthetic samples, and as a building block for constructing carbon frameworks to support structure-activity relationship (SAR) studies. It is also explored at laboratory scale for materials research and as a precursor for specialty chemical applications. Any formal use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.75
    methanol 371.26
    isopropanol 136.28
    water 2.1
    ethyl acetate 91.52
    n-propanol 121.39
    acetone 188.98
    n-butanol 108.39
    acetonitrile 100.37
    DMF 366.37
    toluene 46.14
    isobutanol 76.94
    1,4-dioxane 354.97
    methyl acetate 95.51
    THF 483.74
    2-butanone 102.59
    n-pentanol 69.12
    sec-butanol 57.31
    n-hexane 1.32
    ethylene glycol 88.24
    NMP 145.31
    cyclohexane 2.38
    DMSO 226.31
    n-butyl acetate 66.55
    n-octanol 40.65
    chloroform 187.4
    n-propyl acetate 61.54
    acetic acid 97.29
    dichloromethane 177.58
    cyclohexanone 157.53
    propylene glycol 52.89
    isopropyl acetate 66.07
    DMAc 169.43
    2-ethoxyethanol 152.46
    isopentanol 84.87
    n-heptane 1.87
    ethyl formate 94.44
    1,2-dichloroethane 115.08
    n-hexanol 94.44
    2-methoxyethanol 341.66
    isobutyl acetate 52.47
    tetrachloromethane 23.56
    n-pentyl acetate 58.64
    transcutol 140.86
    n-heptanol 51.59
    ethylbenzene 28.19
    MIBK 74.97
    2-propoxyethanol 204.58
    tert-butanol 157.63
    MTBE 59.79
    2-butoxyethanol 100.65
    propionic acid 57.12
    o-xylene 30.68
    formic acid 93.66
    diethyl ether 75.25
    m-xylene 43.62
    p-xylene 34.01
    chlorobenzene 62.35
    dimethyl carbonate 67.59
    n-octane 1.94
    formamide 143.91
    cyclopentanone 235.58
    2-pentanone 102.3
    anisole 78.49
    cyclopentyl methyl ether 108.11
    gamma-butyrolactone 241.67
    1-methoxy-2-propanol 224.2
    pyridine 124.0
    3-pentanone 60.85
    furfural 180.55
    n-dodecane 2.15
    diethylene glycol 223.84
    diisopropyl ether 19.21
    tert-amyl alcohol 64.85
    acetylacetone 126.72
    n-hexadecane 2.5
    acetophenone 73.18
    methyl propionate 83.02
    isopentyl acetate 68.01
    trichloroethylene 185.3
    n-nonanol 38.1
    cyclohexanol 69.14
    benzyl alcohol 80.49
    2-ethylhexanol 40.62
    isooctanol 41.73
    dipropyl ether 34.58
    1,2-dichlorobenzene 58.52
    ethyl lactate 49.09
    propylene carbonate 106.97
    n-methylformamide 203.92
    2-pentanol 51.54
    n-pentane 1.34
    1-propoxy-2-propanol 99.63
    1-methoxy-2-propyl acetate 87.91
    2-(2-methoxypropoxy) propanol 67.79
    mesitylene 22.88
    ε-caprolactone 121.32
    p-cymene 20.72
    epichlorohydrin 269.73
    1,1,1-trichloroethane 74.38
    2-aminoethanol 110.89
    morpholine-4-carbaldehyde 222.52
    sulfolane 186.67
    2,2,4-trimethylpentane 1.9
    2-methyltetrahydrofuran 155.86
    n-hexyl acetate 68.66
    isooctane 2.26
    2-(2-butoxyethoxy)ethanol 88.5
    sec-butyl acetate 42.69
    tert-butyl acetate 73.51
    decalin 3.42
    glycerin 113.58
    diglyme 159.35
    acrylic acid 56.36
    isopropyl myristate 26.92
    n-butyric acid 96.84
    acetyl acetate 64.38
    di(2-ethylhexyl) phthalate 35.6
    ethyl propionate 51.66
    nitromethane 177.69
    1,2-diethoxyethane 64.96
    benzonitrile 82.36
    trioctyl phosphate 28.22
    1-bromopropane 41.41
    gamma-valerolactone 269.66
    n-decanol 28.67
    triethyl phosphate 30.35
    4-methyl-2-pentanol 40.36
    propionitrile 87.34
    vinylene carbonate 114.77
    1,1,2-trichlorotrifluoroethane 129.6
    DMS 59.57
    cumene 21.6
    2-octanol 36.14
    2-hexanone 60.7
    octyl acetate 35.65
    limonene 23.75
    1,2-dimethoxyethane 212.26
    ethyl orthosilicate 29.43
    tributyl phosphate 27.45
    diacetone alcohol 103.56
    N,N-dimethylaniline 51.34
    acrylonitrile 114.94
    aniline 68.24
    1,3-propanediol 180.96
    bromobenzene 54.46
    dibromomethane 95.57
    1,1,2,2-tetrachloroethane 136.82
    2-methyl-cyclohexyl acetate 46.61
    tetrabutyl urea 38.88
    diisobutyl methanol 26.37
    2-phenylethanol 85.14
    styrene 29.07
    dioctyl adipate 35.98
    dimethyl sulfate 93.16
    ethyl butyrate 43.9
    methyl lactate 65.17
    butyl lactate 49.5
    diethyl carbonate 33.37
    propanediol butyl ether 71.13
    triethyl orthoformate 35.98
    p-tert-butyltoluene 20.48
    methyl 4-tert-butylbenzoate 67.16
    morpholine 302.11
    tert-butylamine 58.09
    n-dodecanol 21.2
    dimethoxymethane 310.18
    ethylene carbonate 98.42
    cyrene 90.51
    2-ethoxyethyl acetate 78.91
    2-ethylhexyl acetate 49.3
    1,2,4-trichlorobenzene 64.03
    4-methylpyridine 121.58
    dibutyl ether 28.16
    2,6-dimethyl-4-heptanol 26.37
    DEF 87.2
    dimethyl isosorbide 113.37
    tetrachloroethylene 93.37
    eugenol 75.81
    triacetin 56.38
    span 80 54.35
    1,4-butanediol 67.17
    1,1-dichloroethane 93.69
    2-methyl-1-pentanol 55.61
    methyl formate 195.45
    2-methyl-1-butanol 62.08
    n-decane 3.57
    butyronitrile 90.64
    3,7-dimethyl-1-octanol 34.69
    1-chlorooctane 19.8
    1-chlorotetradecane 7.76
    n-nonane 2.94
    undecane 2.72
    tert-butylcyclohexane 3.35
    cyclooctane 1.3
    cyclopentanol 86.6
    tetrahydropyran 164.92
    tert-amyl methyl ether 39.84
    2,5,8-trioxanonane 110.67
    1-hexene 9.51
    2-isopropoxyethanol 97.47
    2,2,2-trifluoroethanol 57.69
    methyl butyrate 69.62

    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