エチルマロン酸ジエチル

Diethyl ethylmalonate

HCID 8610CAS 133-13-1
部分構造検索類似構造を探す

基本情報

標準SMILES
CCOC(=O)C(CC)C(=O)OCC
InChIKey
VQAZCUCWHIIFGE-UHFFFAOYSA-N
分子式
C9H16O4
平均分子量
188.22 g/mol
単同位体質量
188.10485899

名称と識別子

優先名称
Diethyl ethylmalonate
IUPAC
diethyl 2-ethylpropanedioate
現地名
エチルマロン酸ジエチル
英語名
Diethyl ethylmalonate
分子式
C9H16O4
分子量
188.22

名称と別名

DIETHYL ETHYLMALONATE133-13-1Diethyl 2-ethylmalonate1,3-diethyl 2-ethylpropanedioatePropanedioic acid, ethyl-, diethyl esterPropanedioic acid, 2-ethyl-, 1,3-diethyl esterMalonic acid, ethyl-, diethyl esterDiethyl ethylpropanedioate69G92OYR3MNSC 8706NSC-8706EINECS 205-093-3
名称をさらに表示
エチルマロン酸ジエチル2-エチルマロン酸ジエチル2-エチルプロパン二酸ジエチルエチルプロパン二酸ジエチル2-エチルプロパン二酸1,3-ジエチルジエチルエチルマロナートDEEMEthylmalonicesterEthylethylmalonateDiethylethylmalonatDiethyl EthylmaloteDIETHYL ETHYLAMAONATEDiethylEthylmalonate>Diethyl ethylmalonate,99%
2-ETHYLMALONIC ACID DIETHYL ESTERAI3-19481DTXSID7038739DIETHYL .ALPHA.-ETHYLMALONATEETHYLPROPANEDIOIC ACID DIETHYL ESTERDiethyl 2ethylmalonateRefChem:587220DTXCID5018739

データベース識別子

CAS
133-13-1
PubChem CID
8610
DTXSID
DTXSID7038739
UNII
69G92OYR3M
EC Number
205-093-3
Nikkaji
J38.404F

物性

構造計算による物性

XLogP
1.8
極性表面積
52.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
7
重原子数
13

実験および物理化学的性質

Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesBoiling point
Physical DescriptionClear colorless liquid; [Acros Organics MSDS]

物理化学的性質

融点
0 °C · 0°C
沸点
75 · 75-77 °C/5 mmHg (lit.)
比重(密度)
1.004 g/mL · 1.004 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.416(lit.)
闪点
191 °F · 191 °F
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 45.5% (5 of 11) of reports.

Warning

H227 (54.5%): Combustible liquid [Warning Flammable liquids]

P210, P280, P370+P378, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Propanedioic acid, 2-ethyl-, 1,3-diethyl ester

Status: Active Update: 05-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17932

Diethyl ethylmalonate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Dimethyl malonate and Ethyl malonate.
Hazard Classes and CategoriesFlam. Liq. 4 (54.5%)

安全データ

wgk
2
tsca
TSCA listed
毒性
LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rat > 2000 mg/kg
hs_code
29171990
risk_code
36/37/38
化審法
(9)-264

化学と産業

用途と製造

General Manufacturing InformationPropanedioic acid, 2-ethyl-, 1,3-diethyl ester: ACTIVE

応用分野

使用Diethyl Ethylmalonate is used in the synthesis of HIV-1 reverse transcriptase inhibitors. Also used in the preparation of Peloruside A, a novel antimitotic agent used as a potential anti-cancer agent.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

関連反応

61 件
反応記録を作成

関連ノート

読み込み中…