甲基环戊烯醇酮

Description

3-Methyl-1,2-cyclopentanedione · CAS 80-71-7 · C6H8O2. UNII 627E92X64B.

Identification

CAS Registry Number	80-71-7
PubChem CID	6660
Molecular formula	C6H8O2
IUPAC name	2-hydroxy-3-methylcyclopent-2-en-1-one
UNII (FDA)	627E92X64B
FEMA number	2700
JECFA number	418

Computed Descriptors

Molecular Weight	112.13
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	112.052429494
Monoisotopic Mass	112.052429494
Topological Polar Surface Area	37.3
Heavy Atom Count	8
Formal Charge	0

Physical description & handling notes

• CBI; Large Crystals

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 891-JECFA 51/103 FAS 42-JECFA 51/353

Documented Uses

• Active product registrations in the US for use in insect traps; [NPIRS] Product of sugar degradation. [ChemIDplus] Product category is Analytical/Chromatography and Flavors and Fragrances. [Sigma-Aldrich]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Information on 5 consumer products that contain 2-Hydroxy-3-methylcyclopent-2-enone in the following categories is provided:
• Soap, Cleaning Compound, and Toilet Preparation Manufacturing
• All Other Basic Organic Chemical Manufacturing
• Food, beverage, and tobacco product manufacturing

Synonyms

80-71-7; Cyclotene; Corylone; 2-HYDROXY-3-METHYL-2-CYCLOPENTEN-1-ONE; 2-hydroxy-3-methylcyclopent-2-en-1-one; Cycloten; 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-; 2-Hydroxy-1-methylcyclopenten-3-one; Cyclotene (ordorant); NSC-133445; 627E92X64B; FEMA No. 2700; DTXSID4035128; RefChem:581283; DTXCID2015128; 201-303-2

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Methyl-1,2-cyclopentanedione?

CAS 80-71-7; molecular formula C6H8O2; molecular weight — g/mol.

What other names is 3-Methyl-1,2-cyclopentanedione known by?

80-71-7, Cyclotene, Corylone, 2-HYDROXY-3-METHYL-2-CYCLOPENTEN-1-ONE, 2-hydroxy-3-methylcyclopent-2-en-1-one, Cycloten.

What is the regulatory status of 3-Methyl-1,2-cyclopentanedione?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents; FLAVOURING_AGENT: Flavouring Agent.

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.