Ethyl 2-methoxyacetate

HCID 77544CAS 3938-96-3

기본 정보

표준 SMILES: CCOC(=O)COC
InChIKey: JLEKJZUYWFJPMB-UHFFFAOYSA-N
분자식: C5H10O3
평균 분자량: 118.13 g/mol
단동위원소 질량: 118.06299418

이름 및 식별자

우선 이름: Ethyl 2-methoxyacetate
IUPAC: ethyl 2-methoxyacetate
영어명: Ethyl methoxyacetate
분자식: C5H10O3
분자량: 118.13

이름 및 동의어

Ethyl methoxyacetate3938-96-3ethyl 2-methoxyacetate2-Methoxy ethyl acetateDG69CT8YO7NSC-245101DTXSID50192580RefChem:87789DTXCID90115071223-521-7methoxyethyl acetateAcetic acid, methoxy-, ethyl ester

이름 더 보기

2-propoxyacetateEthyl methoxyacetate 97%NSC 245101EthylMethoxyacetate>Ethyl methoxyacetate,98%Ethanol, 2-metoxy acetate

EthylmethoxyacetateMethoxyacetic acid ethyl esterMFCD00009176ETHYL-3-OXABUTANOATEmethoxy acetic acid ethyl esterethyl-metoxyacetateMethylglycol acetateEINECS 223-521-7

데이터베이스 식별자

CAS: 3938-96-3
PubChem CID: 77544
DTXSID: DTXSID50192580
UNII: DG69CT8YO7
EC Number: 223-521-7
Nikkaji: J101.054I

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 8
형식 전하: 0
복잡도: 70.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 44 · 44-45.5 °C/9 mmHg (lit.)
밀도: 1.007 g/mL · 1.007 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.401(lit.)
인화점: 115 °F · 115 °F
저장 조건: Flammables area
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 물에 약간 용해됩니다.
BRN: 1744761 · 1744761
InChI: 1S/C5H10O3/c1-3-8-5(6)4-7-2/h3-4H2,1-2H3
InChIKey: JLEKJZUYWFJPMB-UHFFFAOYSA-N
SMILES: CCOC(=O)COC
LogP: 0.475 · 0.475 (est)
NIST: Acetic acid, methoxy-, ethyl ester(3938-96-3)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 44 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3272 3/PG 3
HS 번호: 29189900
risk_code: 10
safety_code: 16-24/25
포장분류: III
위험 등급: 3
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Ethyl methoxyacetate was used as acyl donor during the preparation of enantiomers of several phenylethylamines, as acylation reagent for the aminolysis of 1-phenylethanamine and used in an industrial, lipase-catalyzed kinetic resolution of primary amine.