CAS 24851-98-7 Hedione (HCID 102861)

이름 및 식별자

우선 이름: Hedione
IUPAC: methyl 2-(3-oxo-2-pentylcyclopentyl)acetate

이름 및 동의어

Methyl dihydrojasmonate24851-98-7methyl 2-(3-oxo-2-pentylcyclopentyl)acetateHedioneKharismalCyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl esterMethyl (3-oxo-2-pentylcyclopentyl)acetateMethyl (2-pentyl-3-oxocyclopentyl)acetateFEMA No. 3408DTXSID20293253GW44CIE3YDTXCID109325

이름 더 보기

RefChem:817723246-495-9DIHYDROJASMONIC ACID, METHYL ESTER128087-96-7Spectrum2_000558Methyl 3-oxo-2-pentyl-cyclopentaneacetateMLS002696002Methyl Dihydrojasmonate (cis- and trans- mixture)

데이터베이스 식별자

CAS: 24851-98-7
PubChem CID: 102861
DTXSID: DTXSID2029325
ChEMBL: CHEMBL1530328
ChEBI: CHEBI:195265
UNII: 3GW44CIE3Y
EC Number: 246-495-9
Nikkaji: J87.287C

물성

구조 계산 물성보충 중

XLogP: 2.7
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 16
형식 전하: 0
복잡도: 248

실험 및 물리화학적 성질

Density0.997-1.008 (20 °C)

Solubility · 2건

Soluble in oils; very slightly soluble in water

Soluble (in ethanol)

Boiling Point109-112 °C (0.2 mm Hg)

Refractive Index1.454-1.464

Physical Description · 2건

Dry Powder; Liquid; Other Solid; Liquid; CBI; Other Solid

Pale straw-coloured to yellowish oily liquid; Powerful floral, jasmine-like aroma

Kovats Retention Index · 2건

1648；1649；1650

2262；2276；2237；2241；2265；2276；2229；2274

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 99.9% (1818 of 1820) of all reports.

Not Classified；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.

Aggregated GHS information provided per 1820 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1818 of 1820 reports by companies.；There is 1 notification provided by 2 of 1820 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]；H311: Toxic in contact with skin [Danger Acute toxicity, dermal]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330: Fatal if inhaled [Danger Acute toxicity, inhalation]

유해성 정보

Regulatory Information · 5건

Chemical: Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester

Regulation (EC) No 1831/2003 (amended)

Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14840

Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2건

Not Classified

Specific target organ toxicity - Single exposure - Category 3 (Respiratory tract irritation)；Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 3

규제 정보

Regulatory Information · 5건

Chemical: Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester

Regulation (EC) No 1831/2003 (amended)

Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14840

Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

화학 및 산업

용도 및 제조

U.S. Production2023: 10,000,000 - <25,000,000 lb；2022: 25,000,000 - <40,000,000 lb；2021: 25,000,000 - <40,000,000 lb；2020: 25,000,000 - <40,000,000 lb

Consumer UsesFragrance；Not Known or Reasonably Ascertainable

Industry UsesFragrance；Flavoring and nutrient

Household ProductsInformation on 288 consumer products that contain Methyl dihydrojasmonate in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home；• Personal Care

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2건

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；Wholesale and Retail Trade

Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester: ACTIVE