Oxypeucedanin Hydrate

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  • Identifiers

    CAS number
    24724-52-5

    Molecular formula
    C16H16O6

    SMILES
    CC(C)([C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 41.02%
    Fruity 35.6%
    Vanilla 35.44%
    Odorless 34.14%
    Creamy 32.85%
    Powdery 28.33%
    Milky 28.17%
    Floral 23.65%
    Caramellic 23.48%
    Musk 23.02%

     

    Flavor
    Bitter 76.49%
    Odorless 33.12%
    Bland 28.11%
    Mild 23.9%
    Sweet-like 21.75%
    Cedarleaf 18.81%
    Parsley 18.81%
    Very mild 18.77%
    Ethyl benzoate 18.51%
    Fruity 18.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.48 (neutral)

    Molecular weight
    304.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    595°C

    Flash point

    • 247.47 ˚C est.

  • Synonyms

    • Oxypeucedanin hydrate
    • 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
    • 4-((2R)-2,3-dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one
    • RefChem:390622
    • GlyTouCan:G04088WR
    • G04088WR
    • 866-277-2
    • 24724-52-5
    • 2643-85-8
    • Oxypeucedaninhydrate
    • (+)-Oxypeucedanin hydrate
    • Prangolarin hydrate
    • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-
    • CHEMBL454060
    • Hydroxypeucedanin hydrate
    • Aviprin
    • Prawgol
    • 4-[(2R)-2,3-Dihydroxy-3-methylbutoxy]-7H-furo[3,2-g][1]benzopyran-7-one
    • (R)-(+)-Oxypeucedanin Hydrate
    • (R)-oxypeucedanin hydrate
    • Oxypeucedan Hydrate
    • (+)-Oxypeucedaninhydrate
    • 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(2,3-dihydroxy-3-methylbutoxy)-, (R)-
    • 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 4-(2,3-DIHYDROXY-3-METHYLBUTOXY)-, (R)-(+)-
    • MLS000574909
    • Aviprin (Oxypeucedaninhydrate)
    • orb1685529
    • SCHEMBL28952264
    • SCHEMBL29425179
    • CHEBI:69829
    • DTXSID90949318
    • HMS2196F22
    • HY-N2622
    • BDBM50361377
    • MSK164211
    • 4-[(2R)-2,3-DIHYDROXY-3-METHYLBUTOXY]-7H-FURO[3,2-G]CHROMEN-7-ONE
    • AKOS000278024
    • EBC-616824
    • FO74044
    • DA-56521
    • MS-24390
    • SMR000156244
    • CS-0023028
    • NS00094521
    • Q27138170
    • 4-[(2R)-2,3-dihydroxy-3-methyl-butoxy]furo[3,2-g]chromen-7-one
    • 2643-85-8

  • Applications

    Oxypeucedanin Hydrate, CAS 24724-52-5, is a furanocoumarin derived from certain plant sources and is commonly evaluated as a chemical intermediate. It may be used as an intermediate for the synthesis of other furanocoumarins. It is also explored as a potential fragrance component or odorant in perfumery and personal care formulations. Additionally, it is evaluated in industrial chemistry and R&D contexts as a building block for synthetic routes and product development. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 174.74
    methanol 265.17
    isopropanol 122.94
    water 1.88
    ethyl acetate 31.98
    n-propanol 117.76
    acetone 231.42
    n-butanol 73.1
    acetonitrile 50.59
    DMF 1029.4
    toluene 3.41
    isobutanol 67.81
    1,4-dioxane 101.75
    methyl acetate 67.52
    THF 295.3
    2-butanone 115.46
    n-pentanol 43.16
    sec-butanol 84.55
    n-hexane 0.32
    ethylene glycol 184.09
    NMP 324.53
    cyclohexane 0.62
    DMSO 1374.44
    n-butyl acetate 18.65
    n-octanol 10.29
    chloroform 21.43
    n-propyl acetate 28.74
    acetic acid 313.01
    dichloromethane 21.25
    cyclohexanone 98.24
    propylene glycol 224.34
    isopropyl acetate 22.52
    DMAc 797.54
    2-ethoxyethanol 260.65
    isopentanol 56.35
    n-heptane 0.46
    ethyl formate 48.84
    1,2-dichloroethane 21.52
    n-hexanol 18.82
    2-methoxyethanol 579.42
    isobutyl acetate 17.71
    tetrachloromethane 2.11
    n-pentyl acetate 13.68
    transcutol 405.84
    n-heptanol 12.79
    ethylbenzene 2.43
    MIBK 36.32
    2-propoxyethanol 150.82
    tert-butanol 108.2
    MTBE 26.7
    2-butoxyethanol 66.83
    propionic acid 105.74
    o-xylene 3.68
    formic acid 337.86
    diethyl ether 19.78
    m-xylene 3.35
    p-xylene 4.49
    chlorobenzene 4.59
    dimethyl carbonate 64.23
    n-octane 0.28
    formamide 500.49
    cyclopentanone 174.07
    2-pentanone 64.54
    anisole 19.7
    cyclopentyl methyl ether 39.19
    gamma-butyrolactone 180.99
    1-methoxy-2-propanol 361.5
    pyridine 52.28
    3-pentanone 38.22
    furfural 127.33
    n-dodecane 0.4
    diethylene glycol 232.37
    diisopropyl ether 4.12
    tert-amyl alcohol 78.0
    acetylacetone 87.46
    n-hexadecane 0.45
    acetophenone 33.27
    methyl propionate 59.9
    isopentyl acetate 20.65
    trichloroethylene 45.68
    n-nonanol 11.47
    cyclohexanol 42.43
    benzyl alcohol 41.71
    2-ethylhexanol 9.64
    isooctanol 11.66
    dipropyl ether 11.0
    1,2-dichlorobenzene 5.77
    ethyl lactate 59.69
    propylene carbonate 70.79
    n-methylformamide 373.49
    2-pentanol 35.11
    n-pentane 0.37
    1-propoxy-2-propanol 86.02
    1-methoxy-2-propyl acetate 51.39
    2-(2-methoxypropoxy) propanol 93.13
    mesitylene 2.29
    ε-caprolactone 83.65
    p-cymene 3.06
    epichlorohydrin 173.19
    1,1,1-trichloroethane 10.07
    2-aminoethanol 240.75
    morpholine-4-carbaldehyde 384.11
    sulfolane 286.85
    2,2,4-trimethylpentane 0.53
    2-methyltetrahydrofuran 74.57
    n-hexyl acetate 18.08
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 116.88
    sec-butyl acetate 16.45
    tert-butyl acetate 29.97
    decalin 0.5
    glycerin 371.02
    diglyme 197.98
    acrylic acid 132.72
    isopropyl myristate 8.92
    n-butyric acid 88.13
    acetyl acetate 21.09
    di(2-ethylhexyl) phthalate 16.29
    ethyl propionate 23.34
    nitromethane 401.15
    1,2-diethoxyethane 41.54
    benzonitrile 19.86
    trioctyl phosphate 11.72
    1-bromopropane 7.11
    gamma-valerolactone 303.21
    n-decanol 9.11
    triethyl phosphate 17.21
    4-methyl-2-pentanol 18.92
    propionitrile 35.42
    vinylene carbonate 62.81
    1,1,2-trichlorotrifluoroethane 204.52
    DMS 32.8
    cumene 2.29
    2-octanol 7.6
    2-hexanone 36.81
    octyl acetate 12.85
    limonene 4.67
    1,2-dimethoxyethane 250.12
    ethyl orthosilicate 14.89
    tributyl phosphate 14.78
    diacetone alcohol 107.59
    N,N-dimethylaniline 19.54
    acrylonitrile 61.08
    aniline 21.46
    1,3-propanediol 253.17
    bromobenzene 3.0
    dibromomethane 9.58
    1,1,2,2-tetrachloroethane 44.05
    2-methyl-cyclohexyl acetate 19.68
    tetrabutyl urea 25.55
    diisobutyl methanol 7.77
    2-phenylethanol 24.82
    styrene 3.08
    dioctyl adipate 20.34
    dimethyl sulfate 134.52
    ethyl butyrate 17.19
    methyl lactate 128.88
    butyl lactate 32.82
    diethyl carbonate 14.34
    propanediol butyl ether 86.51
    triethyl orthoformate 18.9
    p-tert-butyltoluene 3.14
    methyl 4-tert-butylbenzoate 35.07
    morpholine 213.31
    tert-butylamine 25.46
    n-dodecanol 6.99
    dimethoxymethane 296.15
    ethylene carbonate 50.52
    cyrene 101.89
    2-ethoxyethyl acetate 32.65
    2-ethylhexyl acetate 13.76
    1,2,4-trichlorobenzene 10.91
    4-methylpyridine 39.71
    dibutyl ether 8.43
    2,6-dimethyl-4-heptanol 7.77
    DEF 118.95
    dimethyl isosorbide 104.87
    tetrachloroethylene 23.75
    eugenol 47.11
    triacetin 44.51
    span 80 55.86
    1,4-butanediol 97.5
    1,1-dichloroethane 13.27
    2-methyl-1-pentanol 32.61
    methyl formate 241.72
    2-methyl-1-butanol 55.38
    n-decane 0.57
    butyronitrile 28.61
    3,7-dimethyl-1-octanol 12.38
    1-chlorooctane 2.46
    1-chlorotetradecane 1.43
    n-nonane 0.43
    undecane 0.47
    tert-butylcyclohexane 0.4
    cyclooctane 0.24
    cyclopentanol 66.67
    tetrahydropyran 46.97
    tert-amyl methyl ether 24.86
    2,5,8-trioxanonane 150.02
    1-hexene 1.98
    2-isopropoxyethanol 115.14
    2,2,2-trifluoroethanol 120.7
    methyl butyrate 42.24

    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