디메톡시아세트산메틸에스테르

Acetic acid, 2,2-dimethoxy-, methyl ester

HCID 66647

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 89-91-8
표준 SMILES: COC(=O)C(OC)OC
InChIKey: NZTCVGHPDWAALP-UHFFFAOYSA-N
분자식: C5H10O4
평균 분자량: 134.13 g/mol
단동위원소 질량: 134.0579088

이름 및 식별자

우선 이름: Acetic acid, 2,2-dimethoxy-, methyl ester
IUPAC: methyl 2,2-dimethoxyacetate
현지명: 디메톡시아세트산메틸에스테르
영어명: Methyl dimethoxyacetate
분자식: C5H10O4
분자량: 134.13

이름 및 동의어

Methyl dimethoxyacetateMethyl 2,2-dimethoxyacetate89-91-8Acetic acid, dimethoxy-, methyl esterDimethoxyacetic acid methyl esterGlyoxylic acid methyl ester dimethyl acetalAI3-52473EINECS 201-950-0Acetic acid, 2,2-dimethoxy-, methyl esterNSC 27791Glyoxylic acid, methyl ester, 2-(dimethyl acetal)DTXSID9058999

이름 더 보기

디메톡시아세트산메틸에스테르메틸다이메톡시아세테이트메틸 다이메톡시아세테이트Methyl dimethoxyacetDimethoxymethyl acetateRegadenoson Impurity 38Dimethyl MethoxyacetateMethyl DimethoxylacetateMethy1 2,2-dimethoxyacetateMethyl dimethoxyacetate 97%Methyl Dimethoxyacetate >

RefChem:552056DTXCID7048669Glyoxylic acid, methyl ester, 2-(dimethyl acetal) (8CI)201-950-0MFCD00008484BHW4XD9QGHUNII-BHW4XD9QGHMethyl dimethoxyacetate, 97%

데이터베이스 식별자

CAS: 89-91-8
PubChem CID: 66647
DTXSID: DTXSID9058999
UNII: BHW4XD9QGH
EC Number: 201-950-0
Nikkaji: J150.813J

물성

구조 계산 물성

XLogP: 0
극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 87

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 67 °C/18 · 67 °C/18 mmHg (lit.)
밀도: 1.096 g/mL · 1.096 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.405(lit.)
인화점: 146 °F · 146 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 액체
색상: 투명하고 무색에서 아주 약간 노란색을 띤다.
BRN: 1757582 · 1757582
InChI: InChI=1S/C5H10O4/c1-7-4(6)5(8-2)9-3/h5H,1-3H3
InChIKey: NZTCVGHPDWAALP-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(OC)OC
NIST: Acetic acid, dimethoxy-, methyl ester(89-91-8)
EPA: Acetic acid, dimethoxy-, methyl ester (89-91-8)

화학적 성질

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29189900
safety_code: 23-24/25
기존화학 물질: KE-11025
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2,2-dimethoxy-, methyl ester: ACTIVE

응용 분야 · 1건

용도Methyl dimethoxyacetate has been used:in Claisen acylation of active hydrogen compoundsin preparation of 3, 9-disubstituted 2,4,8,10-tetroxaspiro [5.5] undecaneas Lithium enolate precursor as acylating reagent for cycloalkanone enolates and amino alcohols