기본 정보
- CAS
10601-80-6- 표준 SMILES
CCOC(=O)CC(OCC)OCC- InChIKey
SIALOQYKFQEKOG-UHFFFAOYSA-N- 분자식
- C9H18O4
- 평균 분자량
- 190.24 g/mol
- 단동위원소 질량
- 190.12050906
이름 및 식별자
- 우선 이름
- Ethyl 3,3-diethoxypropionate
- IUPAC
- ethyl 3,3-diethoxypropanoate
- 현지명
- 디에톡시프로피온산에틸에스테르
- 영어명
- Ethyl 3,3-Diethoxypropionate
- 분자식
- C9H18O4
- 분자량
- 190.24
이름 및 동의어
Ethyl 3,3-diethoxypropionate10601-80-6Propanoic acid, 3,3-diethoxy-, ethyl esterAI3-22276EINECS 234-223-1DTXSID70147476NSC 83149RefChem:594540DTXCID0069967234-223-1Ethyl 3,3-diethoxypropanoate3,3-Diethoxypropionic Acid Ethyl Ester
이름 더 보기
디에톡시프로피온산에틸에스테르에틸 3,3-다이에톡시프로피온에이트DEPE3,3-Diethoxypropanoic acidmalonaldehydic acid ethyl ester diethylacetalINDIP-0153-diethoxypropionate3,3-diethoxypentanoateRegadenoson Impurity 15(2-CHLORO-ETHOXY)-ACETIC
ETHYL3,3-DIETHOXYPROPIONATEMFCD000098653,3-Diethoxy-propionic acid ethyl esterNCIOpen2_001167UNII-949D397DXS949D397DXSNSC-83149AKOS005137982
데이터베이스 식별자
- CAS
10601-80-6- PubChem CID
- 66389
- DTXSID
DTXSID70147476- UNII
- 949D397DXS
- EC Number
- 234-223-1
- Nikkaji
- J208.450C
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 130
물리화학적 성질
- 녹는점
- 200 · 200-202 °C
- 끓는 점
- 92 · 92-93 °C/13 mmHg (lit.)
- 밀도
- 0.978 g/mL · 0.978 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.411(lit.)
- 인화점
- 184 °F · 184 °F
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 무색의
- BRN
- 1772110 · 1772110
- 안정성
- 흡습성
- InChI
- InChI=1S/C9H18O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3
- InChIKey
- SIALOQYKFQEKOG-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)CC(OCC)OCC
- LogP
- 2.26 · 2.260 (est)
화학적 성질
clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.
Warning
H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationPropanoic acid, 3,3-diethoxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
안전 데이터
- wgk
- 3
- HS 번호
- 29189900
- safety_code
- 23-24/25
- F 고인화성물질
- 10-21
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
개요Ethyl 3,3-diethoxypropionate is an organic compound that is synthesized from the reaction of diethyl malonate and chloroacetic acid in the presence of a base catalyst. This product has been shown to be an effective inhibitor of mitochondrial cytochrome c oxidase in vitro studies. Ethyl 3,3-diethoxypropionate also has been found to inhibit quinoline derivatives, such as erythromycin and tetracycline, which are involved in bacterial DNA synthesis. Furthermore, this product inhibits β-unsaturated aldehydes and allylation.
용도Ethyl 3,3-diethoxypropionate participates in the Yb(OTf)3 catalyzed synthesis of dihydropyridines (DHPs).
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
25건
화합물 노트
불러오는 중…