Hedione

Description

Methyl dihydrojasmonate is identified by CAS 24851-98-7, molecular formula C13H22O3 and molecular weight 226.31 g/mol. UNII 3GW44CIE3Y; ChEBI 195265; InChIKey KVWWIYGFBYDJQC-UHFFFAOYSA-N. Boiling Point: 109-112 °C (0.2 mm Hg); Density: 0.997-1.008 (20 °C); Refractive Index: 1.454-1.464.

Identification

CAS Registry Number	24851-98-7
PubChem CID	102861
Molecular formula	C13H22O3
Molecular weight	226.31 g/mol
IUPAC name	methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
InChIKey	KVWWIYGFBYDJQC-UHFFFAOYSA-N
UNII (FDA)	3GW44CIE3Y
ChEBI ID	CHEBI:195265
FEMA number	3408
JECFA number	1898

Computed Descriptors

Molecular Weight	226.31
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	226.15689456
Monoisotopic Mass	226.15689456
Topological Polar Surface Area	43.4
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Boiling Point	109-112 °C (0.2 mm Hg)
Density	0.997-1.008 (20 °C)
Refractive Index	1.454-1.464

Physical description & handling notes

• Dry Powder; Liquid; Other Solid; Liquid; CBI; Other Solid
• Pale straw-coloured to yellowish oily liquid; Powerful floral, jasmine-like aroma
• Soluble in oils; very slightly soluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	99.9% (1818 / 1820)

GHS Hazard Classification

GHS notification summary	99.9% (1818 / 1820)
Reported hazard statements	H301, H311, H314, H318, H330

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Not Known or Reasonably Ascertainable
• Information on 288 consumer products that contain Methyl dihydrojasmonate in the following categories is provided:
• 2023: 10,000,000 - <25,000,000 lb
• 2022: 25,000,000 - <40,000,000 lb

Synonyms

Methyl dihydrojasmonate; 24851-98-7; methyl 2-(3-oxo-2-pentylcyclopentyl)acetate; Hedione; Kharismal; Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester; Methyl (3-oxo-2-pentylcyclopentyl)acetate; Methyl (2-pentyl-3-oxocyclopentyl)acetate; FEMA No. 3408; DTXSID2029325; 3GW44CIE3Y; DTXCID109325; RefChem:817723; 246-495-9; DIHYDROJASMONIC ACID, METHYL ESTER; 128087-96-7

Frequently Asked Questions

What are the CAS number and molecular formula of Methyl dihydrojasmonate?

CAS 24851-98-7; molecular formula C13H22O3; molecular weight 226.31 g/mol.

What other names is Methyl dihydrojasmonate known by?

Methyl dihydrojasmonate, 24851-98-7, methyl 2-(3-oxo-2-pentylcyclopentyl)acetate, Hedione, Kharismal, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester.

What is the regulatory status of Methyl dihydrojasmonate?

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

Is Methyl dihydrojasmonate classified as hazardous?

99.9% of GHS notifications report no hazard classification (1818 of 1820).

What are the key physical properties of Methyl dihydrojasmonate?

Boiling Point: 109-112 °C (0.2 mm Hg); Density: 0.997-1.008 (20 °C); Refractive Index: 1.454-1.464.

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.