Ethyl chrysanthemate (HCID 7334)

概要

Ethyl chrysanthemumate is a monoterpenoid.

名称と識別子

優先名称: Ethyl chrysanthemate
IUPAC: ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
現地名: 2,2-ジメチル-3-(2-メチル-1-プロペニル)シクロプロパンカルボン酸エチル
英語名: Ethyl chrysanthemumate
分子式: C12H20O2
分子量: 196.29

名称と別名

Ethyl chrysanthemate97-41-6Chrysanthemic acid ethyl esterCYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-, ETHYL ESTERDTXSID2052651NSC-10819Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, ethyl esterRefChem:596155BTF46JW4YADTXCID201079157202-579-7Ethyl chrysanthemumate

名称をさらに表示

2,2-ジメチル-3-(2-メチル-1-プロペニル)シクロプロパンカルボン酸エチル2,2-ジメチル-3-イソブテニルシクロプロパンカルボン酸エチル3-イソブテニル-2,2-ジメチル-1-シクロプロパンカルボン酸エチル菊酸エチルクリサンセミンモノカルボン酸エチル2,2-ジメチル-3-(2-メチル-1-プロペニル)シクロプロパン-1-カルボン酸エチル3-[2-メチル-1-プロペニル]-2,2-ジメチルシクロプロパンカルボン酸エチル2,2-ジメチル-3-(2-メチル-1-プロペニル)シクロプロパンカルボン酸エチルクリサンテミルモノカルボン酸エチルクリサンテム酸エチルキクカルボン酸エチルクリサンテム酸エチル, 95%PNP-α-D-GalEthyl chrysantCyclopropanecaTIMTEC-BB SBB007714Ethyl chrisanthemateEthyl chrysanthemat.Ethyl chrysanthemumaEthyl ChrsantheMuMate

chrysanthemic acid, ethyl esterEthyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylateEthylchrysanthemateethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylateMFCD00001304ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylateEthyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylateethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

データベース識別子

CAS: 97-41-6
PubChem CID: 7334
DTXSID: DTXSID2052651
ChEMBL: CHEMBL1596099
ChEBI: CHEBI:228794
EC Number: 202-579-7
Nikkaji: J23.507E

物性

構造計算による物性

XLogP: 4.1
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 259

実験および物理化学的性質

FragrancesFragrance

物理化学的性質

沸点: 112 °C10 · 112 °C10 mm Hg(lit.)
比重(密度): 0.906 g/mL · 0.906 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.461(lit.)
闪点: 184 °F · 184 °F
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 液体
色: 黄色
臭い (Odor): 10 %。ハーブワイン · ジプロピレングリコール中10.00%。ハーブワインフルーティー永遠の花菊スイート
においのタイプ: ハーブ
BRN: 2045740 · 2045740
LogP: 4.181 · 4.181 (est)
CAS データベース: 97 · 97-41-6(CAS DataBase Reference)
NISTの化学物質情報: Ethyl chrysanthemate(97-41-6)
EPAの化学物質情報: 2 · Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester (97-41-6)

化学的性質 · 1 件

化学的特性clear colorless to yellow liquid. Very slightly soluble in water, soluble in alcohol and oils. Powerful, winey-herbaccous, sweet and ethereal, very pleasant odor of intriguing complexity, and with a powerfully lifting minty undertone. The spicy-hcrbaccous, warm and almost green-floral notes resemble certain notes in the Jasmin complex.

安全と法規制

GHS分類

GHS Classification · 4 件

This chemical does not meet GHS hazard criteria for 7.1% (1 of 14) of reports.

H411 (92.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 25-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22078

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester: Environment tier I assessment

Hazard Classes and CategoriesAquatic Chronic 2 (92.9%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: GZ1727000
ridadr: UN1993
hs_code: 29162090
化審法: (3)-2443
消防法: 危-4-3-III
safety_code: 24/25
hazard_class: 3

化学と産業

用途と製造

General Manufacturing InformationCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, ethyl ester: INACTIVE

応用分野 · 1 件

使用Ethyl Chrysanthemate is an organic building block used in the synthesis of various chemical compounds, such as insecticide, Resmethrin (R144685). It is used in the preparation of trans-norchrysanthemates and trans-norpyrethrates, having insecticidal activity.

調製方法 · 1 件

純化方法Purify the ester by vacuum distillation. The free trans-acid has m 54o (from EtOAc), and the free cis-acid has m 113-116o (from EtOAc). The 4-nitrophenyl ester has m 44-45o (from pet ether) [Campbell & Harper J Chem Soc 283 1945, IR: Allen et al. J Org Chem 22 1291 1957]. [Beilstein 9 II 45.]