ChemicalBook--->CAS DataBase List--->93-35-6

93-35-6

93-35-6 Structure

93-35-6 Structure
IdentificationMore
[Name]

7-Hydroxycoumarin
[CAS]

93-35-6
[Synonyms]

2H-1-BENZOPYRAN-2-ONE, 7-HYDROXY-
3-BUTYLIDEN-4,5-DIHYDRO-3H-ISOBENZOFURAN-1-ONE
3-butylidene-4,5-dihydro-1(3h)-isobenzofuranone
3-BUTYLIDENE-4,5-DIHYDROPHTHALIDE
7-Hydroxy-2H-1-benzopyran-2-one
7-HYDROXYCOUMARIN
AKOS 213-68
HYDRANGIN
LIGUSTILIDE
LIGUSTILIDE, Z-
SKIMMETIN
UMBELLIFERON
UMBELLIFERONE
Z-LIGUSTILIDE
7 HC
7-hydroxy-2h-1-benzopyran-2-on
7-Hydroxy-2H-chromen-2-one
7-hydroxy-coumari
7-Oxycoumarin
beta-Umbelliferone
[EINECS(EC#)]

202-240-3
[Molecular Formula]

C9H6O3
[MDL Number]

MFCD01861511
[Molecular Weight]

162.14
[MOL File]

93-35-6.mol
Chemical PropertiesBack Directory
[Appearance]

Light Brownish Powder
[Melting point ]

230 °C (dec.)(lit.)
[Boiling point ]

248.82°C (rough estimate)
[density ]

1.2599 (rough estimate)
[refractive index ]

1.5380 (estimate)
[storage temp. ]

2-8°C
[solubility ]

dioxane: soluble
[form ]

Powder and Agglomerate
[pka]

7.11(at 25℃)
[color ]

Off-white to beige-brownish
[Odor]

develops odor of coumarin on heating
[PH Range]

Non/ uorescence (6.5) to blue / uorescence (8.0)
[Water Solubility ]

1 g/100 mL (100 ºC)
[Usage]

A metabolite of Coumarin. The aglucon of skimmin. Present in many plants
[λmax]

320nm
[Detection Methods]

HPLC,NMR
[Merck ]

14,9847
[BRN ]

127683
[Major Application]

Fluorescent brighteners, fungicides, cosmetics, antitrypanosomal, antileishmanial activities, antifungal, antibacterial, antiinflammatory, antiHIV, detection of microorganisms, treatment of impaired neurotransmission disorders, Alzheimer’s disease, vascular and lymphatic edema cancer, early diagnosis of stroke, dental material, drug-coated coronary stent system
[InChIKey]

ORHBXUUXSCNDEV-UHFFFAOYSA-N
[LogP]

1.580 (est)
[CAS DataBase Reference]

93-35-6(CAS DataBase Reference)
[NIST Chemistry Reference]

7-Hydroxycoumarin(93-35-6)
[EPA Substance Registry System]

93-35-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

GN6820000
[HS Code ]

29322980
[Toxicity]

LD50 intravenous in mouse: 450mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,4-Dihydroxyacetophenone
[Preparation Products]

8-ACETYL-6-HYDROXY-7-METHOXY-CHROMEN-2-ONE-->XANTHOTOXOL-->FRAXIDIN-->[(2-OXO-2H-CHROMEN-7-YL)OXY]ACETIC ACID-->8-ACETYL-7-HYDROXYCOUMARIN-->8-ACETYL-7-METHOXYCOUMARIN-->2-(2-OXO-2H-CHROMEN-7-YLOXY)-PROPIONIC ACID-->7,8-Dihydroxycoumarin-->7-ACETOXYCOUMARIN-->7-Ethoxycoumarin-->8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one-->CHEMBRDG-BB 6088138-->7-(1-oxo-1-phenylpropan-2-yl)oxychromen-2-one-->7-ALLYLOXYCOUMARIN-->ETHYL 2-(2-OXO-2H-CHROMEN-7-YLOXY)ACETATE-->7-Methoxycoumarin
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

7-Hydroxycoumarin(93-35-6).msds
Hazard InformationBack Directory
[Chemical Properties]

Light Brownish Powder
[Uses]

A metabolite of Coumarin. The aglucon of skimmin. Present in many plants
[Uses]

antifungal, phytoalexin
[Uses]

In sunscreen lotions and creams; as intracellular and pH sensitive fluorescent indicator and blood-brain barrier probe.
[Definition]

ChEBI: A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7.
[General Description]

Umbelliferone is a naturally occurring coumarin, present in a variety of medicinal plants from the Apiaceae (Umbelliferae) family and also in plants from other families such as mouse-ear hawkweed.
[storage]

Store at -20°C
[Purification Methods]

It crystallises from water (m 232-232.2o) or EtOH (m 232o). It sublimes at 160o/0.001mm. Fluorescence: Em max 452nm/Exc 325nm in 50% EtOH. [Beilstein 18 H 27, 18 I 306, 18 II 16, 18 III/IV 294, 18/1 V 386.]
Spectrum DetailBack Directory
[Spectrum Detail]

7-Hydroxycoumarin(93-35-6)MS
7-Hydroxycoumarin(93-35-6)1HNMR
7-Hydroxycoumarin(93-35-6)IR1
7-Hydroxycoumarin(93-35-6)IR2
7-Hydroxycoumarin(93-35-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

7-Hydroxycoumarin, 99%(93-35-6)
[Alfa Aesar]

7-Hydroxycoumarin, 98%(93-35-6)
[Sigma Aldrich]

93-35-6(sigmaaldrich)
[TCI AMERICA]

Umbelliferone,>98.0%(GC)(93-35-6)
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