Pangelin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    33783-80-1

    Molecular formula
    C16H14O5

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 40.74%
    Caramellic 38.04%
    Fruity 34.93%
    Vanilla 33.57%
    Odorless 28.78%
    Creamy 28.21%
    Burnt 25.26%
    Milky 24.34%
    Roasted 24.19%
    Powdery 23.4%

     

    Flavor
    Bitter 78.81%
    Odorless 31.69%
    Bland 24.36%
    Sweet-like 20.15%
    Cedarleaf 18.82%
    Very mild 18.63%
    Parsley 18.62%
    Lovage 18.43%
    Bread crust 18.4%
    Roasted peanuts 18.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.26 (neutral)

    Molecular weight
    286.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    469°C

    Flash point

    • 227.86 ˚C est.

  • Synonyms

    • Pangelin
    • 33783-80-1
    • 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]furo[3,2-g]chromen-7-one
    • 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((2-hydroxy-3-methyl-3-butenyl)oxy)-, (R)-
    • R-(+)-Pangelin
    • (R)-4-((2-Hydroxy-3-methylbut-3-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
    • MLS002472950
    • orb1684338
    • CHEMBL1870203
    • SCHEMBL30977122
    • DTXSID60187447
    • BVMOMQJYQYBMKL-LBPRGKRZSA-N
    • HMS2198I04
    • HY-N8131
    • AKOS040760617
    • DA-76586
    • MS-24080
    • SMR001397058
    • XP163691
    • CS-0140178
    • E87156
    • 4-{[(2R)-2-Hydroxy-3-methylbut-3-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one
    • 33783-80-1

  • Applications

    Pangelin, CAS 33783-80-1, is a fragrance ingredient with potential applicability across multiple industries. Typical use areas include as an odorant in perfumery and fragrance formulations; as a fragrance component in cosmetics and personal care products; as a scent additive in household and cleaning products; as a fragrance modifier in coatings and inks; and it may be employed as a processing aid or intermediate in fragrance manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.57
    methanol 38.97
    isopropanol 29.91
    water 0.05
    ethyl acetate 37.33
    n-propanol 32.44
    acetone 123.65
    n-butanol 30.09
    acetonitrile 38.03
    DMF 273.02
    toluene 7.09
    isobutanol 26.18
    1,4-dioxane 67.98
    methyl acetate 63.05
    THF 193.82
    2-butanone 112.58
    n-pentanol 20.78
    sec-butanol 35.48
    n-hexane 0.17
    ethylene glycol 20.94
    NMP 129.81
    cyclohexane 0.41
    DMSO 396.13
    n-butyl acetate 21.61
    n-octanol 5.4
    chloroform 37.84
    n-propyl acetate 27.72
    acetic acid 99.47
    dichloromethane 41.86
    cyclohexanone 91.86
    propylene glycol 30.35
    isopropyl acetate 25.26
    DMAc 442.65
    2-ethoxyethanol 97.95
    isopentanol 32.9
    n-heptane 0.27
    ethyl formate 26.43
    1,2-dichloroethane 33.86
    n-hexanol 13.51
    2-methoxyethanol 174.74
    isobutyl acetate 17.89
    tetrachloromethane 2.05
    n-pentyl acetate 13.82
    transcutol 273.83
    n-heptanol 7.62
    ethylbenzene 3.93
    MIBK 32.36
    2-propoxyethanol 68.97
    tert-butanol 41.63
    MTBE 22.39
    2-butoxyethanol 35.95
    propionic acid 46.87
    o-xylene 5.89
    formic acid 42.67
    diethyl ether 18.26
    m-xylene 4.94
    p-xylene 6.58
    chlorobenzene 9.51
    dimethyl carbonate 39.78
    n-octane 0.16
    formamide 93.2
    cyclopentanone 115.84
    2-pentanone 57.61
    anisole 23.68
    cyclopentyl methyl ether 37.16
    gamma-butyrolactone 103.31
    1-methoxy-2-propanol 117.47
    pyridine 59.48
    3-pentanone 44.57
    furfural 81.64
    n-dodecane 0.29
    diethylene glycol 79.54
    diisopropyl ether 4.13
    tert-amyl alcohol 42.2
    acetylacetone 72.19
    n-hexadecane 0.33
    acetophenone 34.44
    methyl propionate 49.28
    isopentyl acetate 23.75
    trichloroethylene 76.36
    n-nonanol 6.79
    cyclohexanol 29.48
    benzyl alcohol 33.6
    2-ethylhexanol 9.47
    isooctanol 8.02
    dipropyl ether 8.95
    1,2-dichlorobenzene 10.35
    ethyl lactate 31.77
    propylene carbonate 46.64
    n-methylformamide 79.86
    2-pentanol 18.39
    n-pentane 0.16
    1-propoxy-2-propanol 47.18
    1-methoxy-2-propyl acetate 47.2
    2-(2-methoxypropoxy) propanol 62.39
    mesitylene 3.04
    ε-caprolactone 66.74
    p-cymene 4.23
    epichlorohydrin 133.44
    1,1,1-trichloroethane 15.48
    2-aminoethanol 36.91
    morpholine-4-carbaldehyde 167.42
    sulfolane 140.49
    2,2,4-trimethylpentane 0.51
    2-methyltetrahydrofuran 64.9
    n-hexyl acetate 16.55
    isooctane 0.25
    2-(2-butoxyethoxy)ethanol 71.72
    sec-butyl acetate 19.34
    tert-butyl acetate 29.1
    decalin 0.52
    glycerin 68.76
    diglyme 130.19
    acrylic acid 54.09
    isopropyl myristate 8.96
    n-butyric acid 49.23
    acetyl acetate 24.92
    di(2-ethylhexyl) phthalate 14.62
    ethyl propionate 25.64
    nitromethane 178.19
    1,2-diethoxyethane 39.77
    benzonitrile 23.56
    trioctyl phosphate 9.45
    1-bromopropane 10.93
    gamma-valerolactone 161.43
    n-decanol 5.61
    triethyl phosphate 17.68
    4-methyl-2-pentanol 12.76
    propionitrile 31.45
    vinylene carbonate 45.03
    1,1,2-trichlorotrifluoroethane 111.02
    DMS 34.2
    cumene 3.22
    2-octanol 4.71
    2-hexanone 35.15
    octyl acetate 12.01
    limonene 5.99
    1,2-dimethoxyethane 121.71
    ethyl orthosilicate 15.47
    tributyl phosphate 13.47
    diacetone alcohol 65.78
    N,N-dimethylaniline 17.94
    acrylonitrile 48.09
    aniline 26.32
    1,3-propanediol 62.77
    bromobenzene 7.14
    dibromomethane 18.29
    1,1,2,2-tetrachloroethane 58.1
    2-methyl-cyclohexyl acetate 21.38
    tetrabutyl urea 20.16
    diisobutyl methanol 6.98
    2-phenylethanol 24.55
    styrene 5.29
    dioctyl adipate 19.21
    dimethyl sulfate 78.44
    ethyl butyrate 19.06
    methyl lactate 54.76
    butyl lactate 23.58
    diethyl carbonate 16.6
    propanediol butyl ether 35.49
    triethyl orthoformate 18.78
    p-tert-butyltoluene 3.86
    methyl 4-tert-butylbenzoate 29.89
    morpholine 116.7
    tert-butylamine 12.51
    n-dodecanol 4.57
    dimethoxymethane 127.27
    ethylene carbonate 37.05
    cyrene 57.38
    2-ethoxyethyl acetate 33.46
    2-ethylhexyl acetate 16.82
    1,2,4-trichlorobenzene 17.76
    4-methylpyridine 49.35
    dibutyl ether 7.72
    2,6-dimethyl-4-heptanol 6.98
    DEF 73.62
    dimethyl isosorbide 72.92
    tetrachloroethylene 28.44
    eugenol 33.66
    triacetin 38.35
    span 80 35.93
    1,4-butanediol 23.24
    1,1-dichloroethane 21.43
    2-methyl-1-pentanol 23.74
    methyl formate 58.62
    2-methyl-1-butanol 31.64
    n-decane 0.36
    butyronitrile 24.77
    3,7-dimethyl-1-octanol 9.04
    1-chlorooctane 2.23
    1-chlorotetradecane 1.35
    n-nonane 0.25
    undecane 0.32
    tert-butylcyclohexane 0.42
    cyclooctane 0.16
    cyclopentanol 30.95
    tetrahydropyran 44.54
    tert-amyl methyl ether 22.15
    2,5,8-trioxanonane 100.13
    1-hexene 1.57
    2-isopropoxyethanol 56.71
    2,2,2-trifluoroethanol 39.28
    methyl butyrate 34.94

    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