6-甲基香豆素

Description

6-Methylcoumarin is identified by CAS 92-48-8, molecular formula C10H8O2 and molecular weight 160.05 g/mol. UNII EHP8W0L01A; ChEBI 563586; InChIKey FXFYOPQLGGEACP-UHFFFAOYSA-N. Boiling Point: 577 °F at 725 mmHg (NTP, 1992); Boiling Point: 304 °C; Melting Point: 167 to 169 °F (NTP, 1992).

Identification

CAS Registry Number	92-48-8
PubChem CID	7092
Molecular formula	C10H8O2
Molecular weight	160.05 g/mol
IUPAC name	6-methylchromen-2-one
InChIKey	FXFYOPQLGGEACP-UHFFFAOYSA-N
UNII (FDA)	EHP8W0L01A
ChEBI ID	CHEBI:563586
FEMA number	2699
JECFA number	1172

Computed Descriptors

Molecular Weight	160.17
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	160.052429494
Monoisotopic Mass	160.052429494
Topological Polar Surface Area	26.3
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	577 °F at 725 mmHg (NTP, 1992)
Boiling Point	304 °C
Melting Point	167 to 169 °F (NTP, 1992)
Melting Point	76.5 °C
Flash Point	266 °F (NTP, 1992)
Other Experimental Properties	Congealing point: >73.5 °C

Physical description & handling notes

• 6-methylcoumarin appears as white crystals with a flavor of vanilla. Insoluble in water. (NTP, 1992)
• White solid; [HSDB]
• Solid
• White crystal solid; coconut-like aroma
• White, crystalline solid
• White needles from benzene

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 922-JECFA 61/49

GHS Hazard Classification

Reported hazard statements	H302 (100%), H319 (95%)

Documented Uses

• Used in perfumes and flavors; Coumarin banned in US since 1954 as a flavor in food; It may contaminate vanilla imported from Mexico and Caribbean countries; [HSDB]
• Useful in coconut flavors, vanilla, caramel.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Cosmetics -> Oral care; Masking
• Cosmetics product ingredient: 6-Methylcoumarin (6-Methyl Coumarin)

Synonyms

6-Methylcoumarin; 92-48-8; 6-Methyl-2H-chromen-2-one; Toncarine; 6-Methyl coumarin; 6-Methylbenzopyrone; Coumarin, 6-methyl-; 6-Methyl-1,2-benzopyrone; 6-Methylcoumarinic anhydride; Cocodescol; Pralina; Toncair; METHYL COUMARIN; 6-Methyl-2H-1-benzopyran-2-one; 2H-1-Benzopyran-2-one, 6-methyl-; NCI-C55812

Frequently Asked Questions

What are the CAS number and molecular formula of 6-Methylcoumarin?

CAS 92-48-8; molecular formula C10H8O2; molecular weight 160.05 g/mol.

What other names is 6-Methylcoumarin known by?

6-Methylcoumarin, 92-48-8, 6-Methyl-2H-chromen-2-one, Toncarine, 6-Methyl coumarin, 6-Methylbenzopyrone.

What is the regulatory status of 6-Methylcoumarin?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 6-Methylcoumarin classified as hazardous?

Hazard statements reported: H302, H319.

What are the key physical properties of 6-Methylcoumarin?

Boiling Point: 577 °F at 725 mmHg (NTP, 1992); Boiling Point: 304 °C; Melting Point: 167 to 169 °F (NTP, 1992); Melting Point: 76.5 °C.

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.