7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-9-hydroxy-2-(1-hydroxy-1-methylethyl)-, (S)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    13895-92-6

    Molecular formula
    C14H14O5

    SMILES
    CC(C)([C@@H]1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 36.87%
    Sweet 36.56%
    Vanilla 33.54%
    Odorless 31.09%
    Powdery 30.44%
    Creamy 29.46%
    Phenolic 27.64%
    Musk 25.23%
    Dry 24.0%
    Berry 23.69%

     

    Flavor
    Bitter 80.52%
    Cedarleaf 19.59%
    Sweet-like 19.18%
    Parsley 19.18%
    Eugenol 18.9%
    Sweet 18.88%
    Lovage 18.73%
    Ripe apricot 18.46%
    Naphthalic 18.45%
    Red fruit 18.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.36 (weak base)

    Molecular weight
    262.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    513°C

    Flash point

    • 226.82 ˚C est.

  • Synonyms

    • 13895-92-6
    • 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-9-hydroxy-2-(1-hydroxy-1-methylethyl)-, (S)-
    • RefChem:1074568
    • Rutaretin
    • (2S)-9-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
    • 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-hydroxy-2-(1-hydroxy-1-methylethyl)-, (2S)-
    • (-)-Racemol; (-)-Rutaretin; Racemol
    • orb1681763
    • SCHEMBL29517184
    • DTXSID20930259
    • CHEBI:192323
    • HY-N1329
    • AKOS032948872
    • FS-9370
    • (S)-2,3-Dihydro-9-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-one
    • AC-37069
    • DA-57582
    • XR163802
    • CS-0016733
    • NS00094522
    • H62860
    • (2S)-9-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one
    • (2S)-9-Hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
    • (2S)-9-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-7-one
    • 9-Hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
    • 13895-92-6

  • Applications

    7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-9-hydroxy-2-(1-hydroxy-1-methylethyl)-, (S)- (CAS 13895-92-6) is a chiral furo[3,2-g]chromen-7-one derivative that is primarily used as an intermediate and chiral building block in pharmaceutical synthesis, enabling routes to novel heterocyclic and bioactive compounds. It is often evaluated for asymmetric synthesis and serves as a scaffold for developing related medicinal chemical frameworks. In industrial manufacturing contexts, it is used as an intermediate for the preparation of complex heterocycles and other advanced intermediates. The compound may also be explored in agrochemical research as a synthetic building block for novel actives. Where permitted by local regulations, it could be considered as a fragrance or cosmetic precursor in limited applications, but such use would require strict regulatory compliance and formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.18
    methanol 79.05
    isopropanol 31.4
    water 0.42
    ethyl acetate 29.51
    n-propanol 31.9
    acetone 56.91
    n-butanol 27.66
    acetonitrile 29.13
    DMF 279.03
    toluene 3.41
    isobutanol 21.27
    1,4-dioxane 44.79
    methyl acetate 40.11
    THF 161.32
    2-butanone 49.38
    n-pentanol 17.01
    sec-butanol 26.55
    n-hexane 0.1
    ethylene glycol 42.42
    NMP 132.92
    cyclohexane 0.25
    DMSO 255.58
    n-butyl acetate 30.37
    n-octanol 13.2
    chloroform 10.18
    n-propyl acetate 30.16
    acetic acid 90.58
    dichloromethane 13.22
    cyclohexanone 54.07
    propylene glycol 34.67
    isopropyl acetate 25.78
    DMAc 263.63
    2-ethoxyethanol 101.46
    isopentanol 32.54
    n-heptane 0.35
    ethyl formate 31.17
    1,2-dichloroethane 11.87
    n-hexanol 21.29
    2-methoxyethanol 206.64
    isobutyl acetate 19.87
    tetrachloromethane 1.25
    n-pentyl acetate 20.36
    transcutol 173.88
    n-heptanol 16.07
    ethylbenzene 2.96
    MIBK 29.14
    2-propoxyethanol 95.09
    tert-butanol 44.16
    MTBE 19.88
    2-butoxyethanol 53.28
    propionic acid 37.85
    o-xylene 4.03
    formic acid 110.72
    diethyl ether 11.76
    m-xylene 4.12
    p-xylene 4.82
    chlorobenzene 5.17
    dimethyl carbonate 34.94
    n-octane 0.28
    formamide 189.33
    cyclopentanone 92.13
    2-pentanone 36.3
    anisole 18.31
    cyclopentyl methyl ether 29.55
    gamma-butyrolactone 105.53
    1-methoxy-2-propanol 134.68
    pyridine 33.38
    3-pentanone 18.91
    furfural 90.47
    n-dodecane 0.42
    diethylene glycol 115.37
    diisopropyl ether 4.12
    tert-amyl alcohol 37.86
    acetylacetone 54.49
    n-hexadecane 0.48
    acetophenone 30.7
    methyl propionate 36.79
    isopentyl acetate 32.86
    trichloroethylene 29.41
    n-nonanol 13.45
    cyclohexanol 19.39
    benzyl alcohol 30.96
    2-ethylhexanol 12.95
    isooctanol 14.41
    dipropyl ether 9.16
    1,2-dichlorobenzene 7.51
    ethyl lactate 35.84
    propylene carbonate 54.25
    n-methylformamide 122.73
    2-pentanol 17.37
    n-pentane 0.12
    1-propoxy-2-propanol 57.14
    1-methoxy-2-propyl acetate 52.64
    2-(2-methoxypropoxy) propanol 57.55
    mesitylene 2.87
    ε-caprolactone 57.37
    p-cymene 5.37
    epichlorohydrin 106.62
    1,1,1-trichloroethane 6.28
    2-aminoethanol 56.33
    morpholine-4-carbaldehyde 162.38
    sulfolane 133.14
    2,2,4-trimethylpentane 0.37
    2-methyltetrahydrofuran 51.17
    n-hexyl acetate 24.56
    isooctane 0.29
    2-(2-butoxyethoxy)ethanol 70.69
    sec-butyl acetate 19.91
    tert-butyl acetate 31.33
    decalin 0.43
    glycerin 93.19
    diglyme 117.13
    acrylic acid 45.71
    isopropyl myristate 11.0
    n-butyric acid 43.51
    acetyl acetate 22.86
    di(2-ethylhexyl) phthalate 17.59
    ethyl propionate 24.86
    nitromethane 139.72
    1,2-diethoxyethane 31.11
    benzonitrile 23.44
    trioctyl phosphate 13.55
    1-bromopropane 3.9
    gamma-valerolactone 139.7
    n-decanol 9.97
    triethyl phosphate 18.42
    4-methyl-2-pentanol 14.28
    propionitrile 20.74
    vinylene carbonate 47.51
    1,1,2-trichlorotrifluoroethane 94.61
    DMS 32.12
    cumene 3.15
    2-octanol 9.93
    2-hexanone 26.37
    octyl acetate 15.02
    limonene 6.5
    1,2-dimethoxyethane 116.99
    ethyl orthosilicate 16.59
    tributyl phosphate 15.38
    diacetone alcohol 69.55
    N,N-dimethylaniline 16.08
    acrylonitrile 36.92
    aniline 14.1
    1,3-propanediol 79.12
    bromobenzene 3.79
    dibromomethane 5.35
    1,1,2,2-tetrachloroethane 22.88
    2-methyl-cyclohexyl acetate 24.13
    tetrabutyl urea 24.17
    diisobutyl methanol 9.38
    2-phenylethanol 32.76
    styrene 3.17
    dioctyl adipate 20.27
    dimethyl sulfate 68.29
    ethyl butyrate 22.32
    methyl lactate 53.66
    butyl lactate 27.98
    diethyl carbonate 18.98
    propanediol butyl ether 53.2
    triethyl orthoformate 20.15
    p-tert-butyltoluene 5.27
    methyl 4-tert-butylbenzoate 34.5
    morpholine 80.26
    tert-butylamine 11.41
    n-dodecanol 7.39
    dimethoxymethane 116.39
    ethylene carbonate 38.63
    cyrene 63.27
    2-ethoxyethyl acetate 37.8
    2-ethylhexyl acetate 23.02
    1,2,4-trichlorobenzene 12.09
    4-methylpyridine 32.79
    dibutyl ether 9.03
    2,6-dimethyl-4-heptanol 9.38
    DEF 57.86
    dimethyl isosorbide 78.32
    tetrachloroethylene 13.11
    eugenol 39.41
    triacetin 35.9
    span 80 35.25
    1,4-butanediol 28.35
    1,1-dichloroethane 6.24
    2-methyl-1-pentanol 20.69
    methyl formate 85.81
    2-methyl-1-butanol 26.11
    n-decane 0.66
    butyronitrile 20.2
    3,7-dimethyl-1-octanol 14.49
    1-chlorooctane 3.52
    1-chlorotetradecane 1.74
    n-nonane 0.47
    undecane 0.51
    tert-butylcyclohexane 0.42
    cyclooctane 0.16
    cyclopentanol 25.07
    tetrahydropyran 24.01
    tert-amyl methyl ether 18.37
    2,5,8-trioxanonane 85.86
    1-hexene 0.83
    2-isopropoxyethanol 59.39
    2,2,2-trifluoroethanol 39.26
    methyl butyrate 36.53

    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