케텐디에틸아세탈

1,1-Diethoxyethene

HCID 137673CAS 2678-54-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=C(OCC)OCC
InChIKey: VTGIVYVOVVQLRL-UHFFFAOYSA-N
분자식: C6H12O2
평균 분자량: 116.16 g/mol
단동위원소 질량: 116.08372962

이름 및 식별자

우선 이름: 1,1-Diethoxyethene
IUPAC: 1,1-diethoxyethene
현지명: 케텐디에틸아세탈
영어명: 1,1-diethoxyethylene
분자식: C6H12O2
분자량: 116.16

이름 및 동의어

1,1-DiethoxyetheneRefChem:5926002678-54-8Ketene diethyl acetalEthene, 1,1-diethoxy-1,1-diethoxyethyleneMFCD00467747Ketene diethylacetalKetene, diethyl acetaldiethoxyethylene1,1diethoxyethylene1,1-diethoxy-ethene

이름 더 보기

케텐디에틸아세탈1353381,1-DiethoxyethenDiethyl ketene acetal1,1-Diethoxyethene, stabilized2-(1-ethoxypropoxy)ethen-1-oneKETENE DIETHYL ACETAL STAB. WACKER &

1-ethoxy-ethenoxy-ethaneSCHEMBL388497SCHEMBL12115269DTXSID50181292VTGIVYVOVVQLRL-UHFFFAOYSA-NAKOS015949588AS-57084FD181813

데이터베이스 식별자

CAS: 2678-54-8
PubChem CID: 137673
DTXSID: DTXSID50181292
EC Number: 620-977-2
Nikkaji: J485.131E

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 8
형식 전하: 0
복잡도: 60

물리화학적 성질

끓는 점: 49 · 49-50 °C(lit.)
밀도: 0.88 g/mL · 0.880 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.414
인화점: 27 °C · 27 °C
저장 조건: 2 · 2-8°C
용해도: soluble in THF, ether, benzene; decomposes in water, ethanol.
InChI: InChI=1S/C6H12O2/c1-4-7-6(3)8-5-2/h3-5H2,1-2H3
InChIKey: VTGIVYVOVVQLRL-UHFFFAOYSA-N
SMILES: C(OCC)(OCC)=C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 10
safety_code: 23

화학 및 산업

응용 분야

용도1,1-diethoxyethylene can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.