Umbelliferone

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  • Identifiers

    CAS number
    93-35-6

    Molecular formula
    C9H6O3

    SMILES
    C1=CC(=CC2=C1C=CC(=O)O2)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Phenolic 57.85%
    Sweet 55.57%
    Nutty 42.68%
    Coconut 39.37%
    Coumarinic 36.79%
    Burnt 36.46%
    Vanilla 35.51%
    Balsamic 33.62%
    Creamy 33.38%
    Medicinal 28.06%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    162.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    347°C

    Melting point expt.

    • 230 - 232 °C

    Flash point est.
    160.01 ˚C

  • Synonyms

    • Umbelliferone
    • 7-hydroxycoumarin
    • 93-35-6
    • 7-Hydroxy-2H-chromen-2-one
    • Hydrangin
    • Skimmetin
    • 7-hydroxycoumarine
    • Hydrangine
    • Skimmetine
    • 7-Oxycoumarin
    • Umbelliferon
    • 2H-1-Benzopyran-2-one, 7-hydroxy-
    • 7-hydroxy coumarin
    • 7-Hydroxy-2H-1-benzopyran-2-one
    • 7-hydroxychromen-2-one
    • beta-Umbelliferone
    • Coumarin, 7-hydroxy-
    • 7 HC
    • 7-hydroxy-coumarin
    • MFCD00006878
    • NSC 19790
    • 7-hydroxy-1-benzopyran-2-one
    • CCRIS 3591
    • EINECS 202-240-3
    • UNII-60Z60NTL4G
    • 2-Hydroxy-7H-chromen-7-one
    • BRN 0127683
    • 60Z60NTL4G
    • 32922-68-2
    • CHEBI:27510
    • AI3-38054
    • 7 OH COUMARIN
    • NSC19790
    • NSC-19790
    • CHEMBL51628
    • 7-HC
    • DTXSID5052626
    • 5-18-01-00386 (Beilstein Handbook Reference)
    • Umbelliferone (Hydrangin, Skimmetin)
    • 7-hydroxycumarin
    • 7-hydroxycoumarin, 14C-labeled
    • 7-hydroxycournarin
    • Umbelliferone; 7-Hydroxy-2H-1-benzopyran-2-one; 7-Oxycoumarin; Hydrangin; Skimmetin
    • beta -umbelliferone
    • 07L
    • 7-hydroxy-coumarine
    • .beta.-Umbelliferone
    • Umbelliferone, 99%
    • AURAPTENE_met001
    • 7-Hydroxy-2-chromenone
    • Coumarin derivative, 3a
    • 7-oxidanylchromen-2-one
    • Umbelliferone (Standard)
    • Spectrum2_001962
    • Spectrum3_000751
    • 7-Hydroxy coumarin-13C
    • 7-hydroxy-chromen-2-one
    • 7-hydroxycoumarin sulphate
    • UMBELLIFERONE [MI]
    • BIDD:PXR0126
    • SCHEMBL22018
    • BSPBio_002362
    • SPECTRUM231084
    • MLS002207035
    • BIDD:ER0671
    • SPBio_002083
    • UMBELLIFERONE [WHO-DD]
    • MEGxp0_000814
    • DTXCID9031199
    • ACon1_000219
    • HY-N0573R
    • KBio3_001582
    • 7-Hydroxy-2H-chromen-2-one #
    • Umbelliferone, analytical standard
    • HMS1607M21
    • HMS2271N09
    • HMS3741M03
    • ALBB-021296
    • CS-D1186
    • HY-N0573
    • PXB99205
    • STR04824
    • BBL027620
    • BDBM50174558
    • CCG-39436
    • s3675
    • STK331042
    • AKOS000120867
    • FH02253
    • NSC-019790
    • SDCCGMLS-0066941.P001
    • 7-Hydroxycoumarin;Hydrangin;NSC 19790
    • NCGC00095801-01
    • NCGC00095801-02
    • NCGC00095801-03
    • NCGC00095801-07
    • NCGC00178691-01
    • NCGC00178691-02
    • 1ST11436
    • AC-18399
    • AC-34707
    • NCI60_001646
    • SMR000112324
    • SY001924
    • DB-014673
    • H0236
    • NS00001324
    • EN300-18075
    • Umbelliferone, Vetec(TM) reagent grade, 98%
    • C09315
    • A844525
    • AH-034/32464027
    • Q416196
    • BRD-K87991767-001-02-0
    • BRD-K87991767-001-03-8
    • Z57150899
    • F0722-0129
    • Umbelliferone, suitable for fluorescence indicator, >=98.0% (HPLC)
    • 7-Hydroxy-2H-1-benzopyran-2-one;7-Hydroxy-2H-chromen-2-one;Umbelliferone
    • InChI=1/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10
    • 142044-47-1
    • 202-240-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.99
    methanol 71.5
    isopropanol 27.05
    water 0.8
    ethyl acetate 34.27
    n-propanol 29.02
    acetone 122.4
    n-butanol 23.55
    acetonitrile 46.24
    DMF 404.09
    toluene 2.64
    isobutanol 20.66
    1,4-dioxane 114.01
    methyl acetate 56.94
    THF 140.33
    2-butanone 68.15
    n-pentanol 19.67
    sec-butanol 20.56
    n-hexane 0.22
    ethylene glycol 20.05
    NMP 190.83
    cyclohexane 0.25
    DMSO 390.43
    n-butyl acetate 24.9
    n-octanol 21.1
    chloroform 1.09
    n-propyl acetate 25.77
    acetic acid 52.89
    dichloromethane 7.37
    cyclohexanone 52.02
    propylene glycol 15.99
    isopropyl acetate 21.17
    DMAc 222.54
    2-ethoxyethanol 70.13
    isopentanol 23.19
    n-heptane 1.27
    ethyl formate 39.08
    1,2-dichloroethane 11.32
    n-hexanol 16.75
    2-methoxyethanol 126.17
    isobutyl acetate 12.8
    tetrachloromethane 0.35
    n-pentyl acetate 24.01
    transcutol 232.06
    n-heptanol 15.66
    ethylbenzene 3.3
    MIBK 25.02
    2-propoxyethanol 63.04
    tert-butanol 37.04
    MTBE 20.15
    2-butoxyethanol 43.27
    propionic acid 30.9
    o-xylene 4.67
    formic acid 30.61
    diethyl ether 18.79
    m-xylene 3.87
    p-xylene 4.8
    chlorobenzene 4.46
    dimethyl carbonate 30.98
    n-octane 0.67
    formamide 97.57
    cyclopentanone 100.31
    2-pentanone 40.97
    anisole 21.84
    cyclopentyl methyl ether 26.51
    gamma-butyrolactone 123.84
    1-methoxy-2-propanol 71.57
    pyridine 33.6
    3-pentanone 27.23
    furfural 94.94
    n-dodecane 1.29
    diethylene glycol 62.95
    diisopropyl ether 5.41
    tert-amyl alcohol 24.89
    acetylacetone 68.52
    n-hexadecane 1.48
    acetophenone 27.68
    methyl propionate 40.08
    isopentyl acetate 23.77
    trichloroethylene 12.08
    n-nonanol 20.55
    cyclohexanol 13.73
    benzyl alcohol 22.43
    2-ethylhexanol 13.4
    isooctanol 13.71
    dipropyl ether 19.67
    1,2-dichlorobenzene 5.83
    ethyl lactate 20.03
    propylene carbonate 50.28
    n-methylformamide 137.27
    2-pentanol 12.74
    n-pentane 0.27
    1-propoxy-2-propanol 40.4
    1-methoxy-2-propyl acetate 40.21
    2-(2-methoxypropoxy) propanol 58.13
    mesitylene 3.2
    ε-caprolactone 51.27
    p-cymene 6.9
    epichlorohydrin 119.8
    1,1,1-trichloroethane 3.85
    2-aminoethanol 29.66
    morpholine-4-carbaldehyde 188.05
    sulfolane 147.68
    2,2,4-trimethylpentane 0.52
    2-methyltetrahydrofuran 56.62
    n-hexyl acetate 35.34
    isooctane 0.47
    2-(2-butoxyethoxy)ethanol 82.17
    sec-butyl acetate 13.77
    tert-butyl acetate 24.69
    decalin 0.69
    glycerin 33.87
    diglyme 154.25
    acrylic acid 32.21
    isopropyl myristate 17.43
    n-butyric acid 29.89
    acetyl acetate 24.95
    di(2-ethylhexyl) phthalate 19.26
    ethyl propionate 23.12
    nitromethane 160.55
    1,2-diethoxyethane 57.25
    benzonitrile 21.89
    trioctyl phosphate 15.74
    1-bromopropane 3.5
    gamma-valerolactone 155.55
    n-decanol 16.59
    triethyl phosphate 15.36
    4-methyl-2-pentanol 9.5
    propionitrile 27.18
    vinylene carbonate 42.37
    1,1,2-trichlorotrifluoroethane 46.98
    DMS 31.2
    cumene 4.06
    2-octanol 11.45
    2-hexanone 31.09
    octyl acetate 23.64
    limonene 9.02
    1,2-dimethoxyethane 136.55
    ethyl orthosilicate 13.49
    tributyl phosphate 18.78
    diacetone alcohol 47.77
    N,N-dimethylaniline 18.8
    acrylonitrile 45.94
    aniline 10.25
    1,3-propanediol 47.03
    bromobenzene 2.72
    dibromomethane 2.3
    1,1,2,2-tetrachloroethane 8.2
    2-methyl-cyclohexyl acetate 21.54
    tetrabutyl urea 31.13
    diisobutyl methanol 10.59
    2-phenylethanol 20.2
    styrene 3.36
    dioctyl adipate 28.53
    dimethyl sulfate 55.79
    ethyl butyrate 23.21
    methyl lactate 33.14
    butyl lactate 24.89
    diethyl carbonate 17.6
    propanediol butyl ether 44.25
    triethyl orthoformate 19.22
    p-tert-butyltoluene 6.05
    methyl 4-tert-butylbenzoate 39.52
    morpholine 100.27
    tert-butylamine 13.14
    n-dodecanol 13.35
    dimethoxymethane 131.72
    ethylene carbonate 34.28
    cyrene 56.45
    2-ethoxyethyl acetate 45.39
    2-ethylhexyl acetate 16.54
    1,2,4-trichlorobenzene 8.95
    4-methylpyridine 29.84
    dibutyl ether 22.7
    2,6-dimethyl-4-heptanol 10.59
    DEF 67.01
    dimethyl isosorbide 89.7
    tetrachloroethylene 4.17
    eugenol 39.18
    triacetin 41.58
    span 80 38.66
    1,4-butanediol 20.1
    1,1-dichloroethane 4.22
    2-methyl-1-pentanol 18.24
    methyl formate 114.0
    2-methyl-1-butanol 19.5
    n-decane 1.7
    butyronitrile 22.17
    3,7-dimethyl-1-octanol 18.47
    1-chlorooctane 7.29
    1-chlorotetradecane 4.14
    n-nonane 1.32
    undecane 1.48
    tert-butylcyclohexane 0.75
    cyclooctane 0.18
    cyclopentanol 22.04
    tetrahydropyran 33.57
    tert-amyl methyl ether 16.59
    2,5,8-trioxanonane 112.43
    1-hexene 1.73
    2-isopropoxyethanol 41.66
    2,2,2-trifluoroethanol 20.91
    methyl butyrate 31.59

    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