7-Hydroxycoumarin

Description

7-Hydroxycoumarin · CAS 93-35-6 · C9H6O3. UNII 60Z60NTL4G. Melting Point: 230 - 232 °C; Collision Cross Section: 153.5 Ų [M+Na]+; Collision Cross Section: 130.1 Ų [M-H]-.

Identification

CAS Registry Number	93-35-6
PubChem CID	5281426
Molecular formula	C9H6O3
IUPAC name	7-hydroxychromen-2-one
UNII (FDA)	60Z60NTL4G

Computed Descriptors

Molecular Weight	162.14
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	162.031694049
Monoisotopic Mass	162.031694049
Topological Polar Surface Area	46.5
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Melting Point	230 - 232 °C
Collision Cross Section	153.5 Ų [M+Na]+
Collision Cross Section	130.1 Ų [M-H]-

Physical description & handling notes

• Solid; [Merck Index] White or pale yellow powder; [Alfa Aesar MSDS]
• Solid
• 127.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5052626]
• 125.74 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 124.82 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 130.56 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
GHS notification summary	1.2% (2 / 166)

GHS Hazard Classification

GHS notification summary	1.2% (2 / 166)
Reported hazard statements	H315 (98.8%), H319 (98.8%), H335 (98.2%)

Documented Uses

• Found in many plants; Used in sunscreens, as intracellular and pH sensitive fluorescent indicator, and blood-brain barrier probe; [Merck Index] Active metabolite of coumarin. [ChemIDplus]
• Synthetic Polymer MALDI Matrix Compounds
• 7-Hydroxycoumarin is a known human metabolite of 7-methoxycoumarin, coumarin, and 7-ethoxycoumarin.

Synonyms

Umbelliferone; 7-hydroxycoumarin; 93-35-6; 7-Hydroxy-2H-chromen-2-one; Skimmetin; Hydrangin; Skimmetine; Hydrangine; Umbelliferon; 2H-1-Benzopyran-2-one, 7-hydroxy-; 7-hydroxychromen-2-one; 60Z60NTL4G; DTXSID5052626; NSC-19790; CHEBI:27510; RefChem:6336

Frequently Asked Questions

What are the CAS number and molecular formula of 7-Hydroxycoumarin?

CAS 93-35-6; molecular formula C9H6O3; molecular weight — g/mol.

What other names is 7-Hydroxycoumarin known by?

Umbelliferone, 7-hydroxycoumarin, 93-35-6, 7-Hydroxy-2H-chromen-2-one, Skimmetin, Hydrangin.

What is the regulatory status of 7-Hydroxycoumarin?

Documented regulatory listings: FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is 7-Hydroxycoumarin classified as hazardous?

1.2% of GHS notifications report no hazard classification (2 of 166).

What are the key physical properties of 7-Hydroxycoumarin?

Melting Point: 230 - 232 °C; Collision Cross Section: 153.5 Ų [M+Na]+; Collision Cross Section: 130.1 Ų [M-H]-.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.