5-甲氧基补骨脂素

Description

5-Methoxy psoralen · CAS 484-20-8 · C12H8O4. UNII 4FVK84C92X. Melting Point: 188 °C (sublimes); Melting Point: 188 °C; Solubility: In water, 5 ug/mL.

Identification

CAS Registry Number	484-20-8
PubChem CID	2355
Molecular formula	C12H8O4
IUPAC name	4-methoxyfuro[3,2-g]chromen-7-one
UNII (FDA)	4FVK84C92X

Computed Descriptors

Molecular Weight	216.19
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	216.04225873
Monoisotopic Mass	216.04225873
Topological Polar Surface Area	48.7
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Melting Point	188 °C (sublimes)
Melting Point	188 °C
Solubility	In water, 5 ug/mL
LogP	log Kow = 2.0
LogP	2.0

Physical description & handling notes

• Grayish-white microcrystalline powder or yellow fluffy solid. (NTP, 1992)
• Grayish-white or yellow solid; [CAMEO] White powder; [MSDSonline]
• Solid
• Needles from alcohol
• 370 °F (sublimes) (NTP, 1992)
• less than 1 mg/mL at 66 °F (NTP, 1992)

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Cosmetics ingredient -> Fragrance; Opacifying Agent

GHS Hazard Classification

Reported hazard statements	H317 (43.7%), H334 (54.9%), H340 (54.9%), H350 (60.6%), H341, H361, H370, H373

Documented Uses

• Used to promote tanning in suntan preparations and to treat psoriasis; Present in some perfumes, fragrances, sunscreen preparations, and food products (as a component of bergamot oil); [HSDB]
• As a component of bergamot oil, 5-methoxypsoralen is present in some perfumes and fragrances, sunscreen preparations and food products.
• Has been used to promote tanning in suntan preparations.
• Cosmetics product ingredient: 5-Methoxypsoralen with ultraviolet A therapy
• - Group 2A carcinogen identified by the International Agency for Research on Cancer
• - Known to cause cancer and listed under Health and Safety Code section 25249.8 of the California Safe Drinking Water and Toxic Enforcement Act of 1986 (Prop 65)

Synonyms

Bergapten; 5-Methoxypsoralen; 484-20-8; bergaptene; Heraclin; Majudin; BERGAPTAN; 5-Mop; Psoraderm; O-Methylbergaptol; 5-Methoxy psoralen; 5-Methoxy-6,7-furanocoumarin; 5-Methoxyfuranocoumarin; 4-methoxyfuro[3,2-g]chromen-7-one; Geralen; 4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one

Frequently Asked Questions

What are the CAS number and molecular formula of 5-Methoxy psoralen?

CAS 484-20-8; molecular formula C12H8O4; molecular weight — g/mol.

What other names is 5-Methoxy psoralen known by?

Bergapten, 5-Methoxypsoralen, 484-20-8, bergaptene, Heraclin, Majudin.

What is the regulatory status of 5-Methoxy psoralen?

Documented regulatory listings: CIR / INCI: Cosmetics ingredient -> Fragrance; Opacifying Agent.

Is 5-Methoxy psoralen classified as hazardous?

Hazard statements reported: H317, H334, H340, H350, H341.

What are the key physical properties of 5-Methoxy psoralen?

Melting Point: 188 °C (sublimes); Melting Point: 188 °C; Solubility: In water, 5 ug/mL; LogP: log Kow = 2.0.

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.