Pterosin B

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  • Identifiers

    CAS number
    34175-96-7

    Molecular formula
    C14H18O2

    SMILES
    C[C@@H]1CC2=C(C1=O)C(=C(C(=C2)C)CCO)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 48.9%
    Floral 41.6%
    Musk 41.0%
    Powdery 38.43%
    Dry 32.65%
    Animal 29.72%
    Woody 29.64%
    Vanilla 27.23%
    Fruity 25.61%
    Phenolic 24.94%

     

    Flavor
    Bitter 64.82%
    Odorless 22.12%
    Parsley 20.97%
    Mild 20.21%
    Lovage 20.09%
    Sweet-like 20.08%
    Orange flower 20.03%
    Eugenol 20.01%
    Leaves 19.93%
    Ethyl benzoate 19.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.46 (weak base)

    Molecular weight
    218.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    457°C

    Flash point

    • 166.86 ˚C est.

  • Synonyms

    • Pterosin B
    • 34175-96-7
    • JUQ6ED3KYL
    • RefChem:930235
    • (2R)-Pterosin B
    • (2R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
    • (2R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
    • (2R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-indan-1-one
    • BI 2
    • PterosinB
    • (R)-6-(2-Hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
    • 1-Indanone, 6-(2-hydroxyethyl)-2,5,7-trimethyl-, (-)-
    • Pterosin B (Standard)
    • 1H-Inden-1-one, 2,3-dihydro-6-(2-hydroxyethyl)-2,5,7-trimethyl-, (R)-
    • MLS002473104
    • orb1708787
    • CHEMBL1728959
    • SCHEMBL30011553
    • HY-N1570R
    • DTXSID70955715
    • GLXC-02986
    • HMS2267D21
    • HY-N1570
    • JBA17596
    • AKOS032949095
    • EBC-618480
    • NCGC00247487-01
    • DA-67002
    • MS-23206
    • SMR001397206
    • CS-0017119
    • NS00066981
    • F82087
    • (2R)-2,3-Dihydro-6-(2-hydroxyethyl)-2,5,7-trimethyl-1H-inden-1-one
    • 2,3-Dihydro-6-(2-hydroxyethyl)-2,5,7-trimethyl-1H-inden-1-one, (2R)-
    • 1H-Inden-1-one, 2,3-dihydro-6-(2-hydroxyethyl)-2,5,7-trimethyl-, (2R)-
    • 34175-96-7

  • Applications

    Pterosin B is a small organic molecule encountered primarily in natural product chemistry and analytical research. In industry, it is commonly used as an intermediate building block for synthetic organic chemistry and medicinal chemistry, serving as a scaffold for exploring heterocyclic analogs and functional diversification. It is also evaluated as a reference compound or research reagent in natural product research and related analytical methods. In pharmaceutical R&D, it may serve as a lead scaffold for drug discovery programs and as a starting point for chemical diversification. In academic and industrial laboratories, it is used as a standard reference material for method development and spectroscopic characterization. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 327.6
    methanol 574.21
    isopropanol 237.74
    water 2.02
    ethyl acetate 316.95
    n-propanol 270.26
    acetone 494.4
    n-butanol 247.1
    acetonitrile 411.88
    DMF 670.23
    toluene 218.75
    isobutanol 163.9
    1,4-dioxane 921.2
    methyl acetate 317.81
    THF 891.69
    2-butanone 335.97
    n-pentanol 135.68
    sec-butanol 130.59
    n-hexane 7.26
    ethylene glycol 101.28
    NMP 319.75
    cyclohexane 15.63
    DMSO 342.12
    n-butyl acetate 198.72
    n-octanol 62.22
    chloroform 919.01
    n-propyl acetate 167.47
    acetic acid 208.41
    dichloromethane 904.09
    cyclohexanone 492.02
    propylene glycol 63.15
    isopropyl acetate 174.59
    DMAc 282.86
    2-ethoxyethanol 253.93
    isopentanol 178.92
    n-heptane 5.62
    ethyl formate 268.75
    1,2-dichloroethane 608.23
    n-hexanol 172.52
    2-methoxyethanol 505.88
    isobutyl acetate 129.94
    tetrachloromethane 134.94
    n-pentyl acetate 143.85
    transcutol 340.46
    n-heptanol 87.55
    ethylbenzene 93.53
    MIBK 171.67
    2-propoxyethanol 331.94
    tert-butanol 246.05
    MTBE 186.51
    2-butoxyethanol 168.83
    propionic acid 159.79
    o-xylene 107.22
    formic acid 110.74
    diethyl ether 295.76
    m-xylene 134.48
    p-xylene 108.56
    chlorobenzene 280.45
    dimethyl carbonate 161.07
    n-octane 4.51
    formamide 209.4
    cyclopentanone 639.18
    2-pentanone 294.97
    anisole 196.94
    cyclopentyl methyl ether 284.8
    gamma-butyrolactone 656.0
    1-methoxy-2-propanol 294.26
    pyridine 520.71
    3-pentanone 205.8
    furfural 427.63
    n-dodecane 4.06
    diethylene glycol 285.67
    diisopropyl ether 57.89
    tert-amyl alcohol 134.67
    acetylacetone 292.1
    n-hexadecane 4.91
    acetophenone 167.36
    methyl propionate 252.75
    isopentyl acetate 183.15
    trichloroethylene 890.75
    n-nonanol 56.09
    cyclohexanol 177.12
    benzyl alcohol 183.99
    2-ethylhexanol 79.86
    isooctanol 71.4
    dipropyl ether 82.97
    1,2-dichlorobenzene 215.52
    ethyl lactate 80.52
    propylene carbonate 272.79
    n-methylformamide 477.48
    2-pentanol 113.54
    n-pentane 8.17
    1-propoxy-2-propanol 165.68
    1-methoxy-2-propyl acetate 188.6
    2-(2-methoxypropoxy) propanol 108.87
    mesitylene 70.98
    ε-caprolactone 338.73
    p-cymene 53.09
    epichlorohydrin 811.95
    1,1,1-trichloroethane 377.57
    2-aminoethanol 162.19
    morpholine-4-carbaldehyde 429.67
    sulfolane 420.72
    2,2,4-trimethylpentane 6.87
    2-methyltetrahydrofuran 403.15
    n-hexyl acetate 156.07
    isooctane 7.13
    2-(2-butoxyethoxy)ethanol 156.53
    sec-butyl acetate 112.27
    tert-butyl acetate 166.66
    decalin 12.17
    glycerin 120.86
    diglyme 327.7
    acrylic acid 143.03
    isopropyl myristate 54.5
    n-butyric acid 257.7
    acetyl acetate 168.7
    di(2-ethylhexyl) phthalate 65.48
    ethyl propionate 140.4
    nitromethane 459.16
    1,2-diethoxyethane 164.78
    benzonitrile 242.3
    trioctyl phosphate 47.69
    1-bromopropane 244.43
    gamma-valerolactone 661.72
    n-decanol 40.7
    triethyl phosphate 62.63
    4-methyl-2-pentanol 74.57
    propionitrile 337.35
    vinylene carbonate 294.06
    1,1,2-trichlorotrifluoroethane 305.37
    DMS 151.34
    cumene 60.28
    2-octanol 58.26
    2-hexanone 148.55
    octyl acetate 71.64
    limonene 59.29
    1,2-dimethoxyethane 388.8
    ethyl orthosilicate 61.93
    tributyl phosphate 54.34
    diacetone alcohol 183.51
    N,N-dimethylaniline 112.61
    acrylonitrile 447.36
    aniline 242.34
    1,3-propanediol 253.23
    bromobenzene 273.12
    dibromomethane 505.32
    1,1,2,2-tetrachloroethane 554.23
    2-methyl-cyclohexyl acetate 96.47
    tetrabutyl urea 69.05
    diisobutyl methanol 50.83
    2-phenylethanol 178.21
    styrene 113.54
    dioctyl adipate 71.05
    dimethyl sulfate 186.84
    ethyl butyrate 110.58
    methyl lactate 103.87
    butyl lactate 95.58
    diethyl carbonate 84.38
    propanediol butyl ether 113.5
    triethyl orthoformate 80.11
    p-tert-butyltoluene 49.9
    methyl 4-tert-butylbenzoate 127.88
    morpholine 806.52
    tert-butylamine 120.77
    n-dodecanol 30.49
    dimethoxymethane 576.98
    ethylene carbonate 268.31
    cyrene 143.11
    2-ethoxyethyl acetate 208.93
    2-ethylhexyl acetate 135.3
    1,2,4-trichlorobenzene 222.96
    4-methylpyridine 449.81
    dibutyl ether 66.01
    2,6-dimethyl-4-heptanol 50.83
    DEF 245.07
    dimethyl isosorbide 197.17
    tetrachloroethylene 416.51
    eugenol 139.09
    triacetin 118.11
    span 80 90.98
    1,4-butanediol 101.29
    1,1-dichloroethane 490.18
    2-methyl-1-pentanol 120.54
    methyl formate 413.16
    2-methyl-1-butanol 147.88
    n-decane 7.21
    butyronitrile 301.5
    3,7-dimethyl-1-octanol 56.61
    1-chlorooctane 43.73
    1-chlorotetradecane 15.99
    n-nonane 6.39
    undecane 5.22
    tert-butylcyclohexane 11.92
    cyclooctane 5.75
    cyclopentanol 193.34
    tetrahydropyran 554.94
    tert-amyl methyl ether 105.69
    2,5,8-trioxanonane 184.1
    1-hexene 44.58
    2-isopropoxyethanol 164.67
    2,2,2-trifluoroethanol 124.02
    methyl butyrate 179.53

    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