Hedione (CAS 24851-98-7) — formula C13H22O3, molecular weight 226.31.
| CAS Number | 24851-98-7 |
|---|---|
| Molecular Formula | C13H22O3 |
| Molecular Weight | 226.31 |
| Boiling Point | 109-112 °C (0.2 mm Hg) |
| LogP | 2.7 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Flavoring and nutrient, Consumer Uses: Fragrance, Not Known or Reasonably Ascertainable, Household Products: Information on 288 consumer products that contain Methyl dihydrojasmonate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, U.S. Production: 2023: 10, 000, 000 - <25, 000 lb, 2022: 25, 000 - <40, 2021: 25, 2020: 25, General Manufacturing Information: Plastics Material and Resin Manufacturing, All Other Chemical Product and Preparation Manufacturing, Food, beverage, and tobacco product manufacturing, Other (requires additional information), All Other Basic Organic Chemical Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester: ACTIVE |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Flavoring and nutrient, Consumer Uses: Fragrance, Not Known or Reasonably Ascertainable, Household Products: Information on 288 consumer products that contain Methyl dihydrojasmonate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, U.S. Production: 2023: 10, 000, 000 - <25, 000 lb, 2022: 25, 000 - <40, 2021: 25, 2020: 25, General Manufacturing Information: Plastics Material and Resin Manufacturing, All Other Chemical Product and Preparation Manufacturing, Food, beverage, and tobacco product manufacturing, Other (requires additional information), All Other Basic Organic Chemical Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester: ACTIVE.
Hedione is a chemical compound with CAS registry number 24851-98-7 and molecular formula C13H22O3 (molecular weight 226.31).
CAS number: 24851-98-7
Its molecular formula C13H22O3 comprises 13 C, 22 H, 3 O atoms.
Also known as: Hedione · 二氢茉莉酮酸甲酯 · Methyl dihydrojasmonate
The CAS registry number of Hedione is 24851-98-7.
Molecular formula C13H22O3, molecular weight 226.31.
It is also registered under: Hedione, 二氢茉莉酮酸甲酯, Methyl dihydrojasmonate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Flavoring and nutrient, Consumer Uses: Fragrance, Not Known or Reasonably Ascertainable, Household Products: Information on 288 consumer products that contain Methyl dihydrojasmonate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, U.S. Production: 2023: 10, 000, 000 - <25, 000 lb, 2022: 25, 000 - <40, 2021: 25, 2020: 25, General Manufacturing Information: Plastics Material and Resin Manufacturing, All Other Chemical Product and Preparation Manufacturing, Food, beverage, and tobacco product manufacturing, Other (requires additional information), All Other Basic Organic Chemical Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester: ACTIVE.
Independent reference data for Hedione (CAS 24851-98-7), compiled from public chemistry databases.
| 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 |
| 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 |
| Boiling Point | 109-112 °C (0.2 mm Hg) |
|---|---|
| Density | 0.997-1.008 (20 °C) |
| Refractive Index | 1.454-1.464 |
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
| 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 notification summary | 99.9% (1818 / 1820) |
|---|---|
| Reported hazard statements | H301, H311, H314, H318, H330 |
This chemical does not meet GHS hazard criteria for 99.9% (1818 of 1820) of all reports.
Reported as not meeting GHS hazard criteria by 1818 of 1820 companies (only 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 二氢茉莉酮酸甲酯