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Methyl dihydrojasmonate

CAS 24851-98-7C13H22O3MW 226.31 g/mol

Methyl dihydrojasmonate(CAS 24851-98-7):分子式 C13H22O3、分子量 226.31 g/mol。

规格参数

CAS号24851-98-7
分子式C13H22O3
分子量226.31 g/mol
沸点109-112 °C (0.2 mm Hg)
LogP2.7

采购档案

这个产品是什么

Methyl dihydrojasmonate 是一种化工化合物,登记 CAS 号为 24851-98-7,分子式 C13H22O3(分子量 226.31 g/mol)。

识别信息

登记 CAS 号:24851-98-7

其分子式 C13H22O3 由 13 个碳、22 个氢、3 个氧 组成。

别名/同义词:Methyl dihydrojasmonate · Hedione

常见问题

Methyl dihydrojasmonate 的 CAS 号是多少?

Methyl dihydrojasmonate 的 CAS 登记号为 24851-98-7。

Methyl dihydrojasmonate 的分子式与分子量是多少?

分子式 C13H22O3,分子量 226.31 g/mol。

Methyl dihydrojasmonate 还有哪些别名?

别名/同义词:Methyl dihydrojasmonate、Hedione。

PubChem 公开数据

Methyl dihydrojasmonate(CAS 24851-98-7)的公开数据库记录,列此仅供独立核对。

危险化学品分类与危害说明

GHS notification summary99.9% (1818 / 1820)
Reported hazard statementsH301, 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.

法规与备案状态

Regulatory & Food ContactEU 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 summary99.9% (1818 / 1820)

物理形态与操作说明

  • 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)

公开数据库收录的理化数据

沸点109-112 °C (0.2 mm Hg)
密度0.997-1.008 (20 °C)
折射率1.454-1.464

这个物质在各数据库里的编号

CAS Registry Number24851-98-7
PubChem CID102861
分子式C13H22O3
分子量226.31 g/mol
IUPAC 名称methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
InChIKeyKVWWIYGFBYDJQC-UHFFFAOYSA-N
UNII(FDA)3GW44CIE3Y
ChEBI 编号CHEBI:195265
FEMA 编号3408
JECFA 编号1898

数据库记载的用途

  • 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

它在各数据库里的别名

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

计算机算出的分子描述符

分子量226.31
XLogP32.7
氢键供体数0
氢键受体数3
可旋转键数7
精确质量226.15689456
单同位素质量226.15689456
拓扑极性表面积43.4
重原子数16
形式电荷0

数据库摘要

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

数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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