메틸44-다이메톡시부티레이트97

Methyl 4,4-dimethoxybutanoate

HCID 350846

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4220-66-0
표준 SMILES: COC(=O)CCC(OC)OC
InChIKey: MMRXJPOAPCEDLP-UHFFFAOYSA-N
분자식: C7H14O4
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.08920893

이름 및 식별자

우선 이름: Methyl 4,4-dimethoxybutanoate
IUPAC: methyl 4,4-dimethoxybutanoate
현지명: 메틸44-다이메톡시부티레이트97
영어명: Methyl 4 4-dimethoxybutyrate 97
분자식: C7H14O4
분자량: 162.18

이름 및 동의어

methyl 4,4-dimethoxybutanoateRefChem:815669834-603-24220-66-04,4-Dimethoxybutanoic Acid Methyl EsterMethyl 4,4-dimethoxybutyrateMFCD02683436C7H14O4NSC5163744,4-dimethoxybutyric acid methyl estermethyl4,4-dimethoxybutanoateSCHEMBL322568

이름 더 보기

메틸44-다이메톡시부티레이트97NSC 516374Methyl 4 4-dimethoxybutyrate 97Methyl 4,4-dimethoxybutyrate 97%Butanoic acid, 4,4-diMethoxy-, Methyl ester4,4-dimethoxy-Butanoic acid methyl ester (9CI ACI)Succinaldehydic Acid Methyl Ester 4-(DiMethyl Acetal)Butanoic acid, 4,4-dimethoxy-, methyl ester (9CI, ACI)

methyl 4,4-dimethoxy-butyrateCS-WAA0013methyl 4,4-dimethoxy-butanoateDTXSID80325708MMRXJPOAPCEDLP-UHFFFAOYSA-NEAA22066Methyl 4,4-dimethoxybutyrate, 97%AKOS000319904

데이터베이스 식별자

CAS: 4220-66-0
PubChem CID: 350846
DTXSID: DTXSID80325708
EC Number: 834-603-2
Nikkaji: J2.235.354C

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 11
형식 전하: 0
복잡도: 109

물리화학적 성질

끓는 점: 40 · 40-50 °C0.2 mm Hg(lit.)
밀도: 1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.417(lit.)
인화점: 185 °F · 185 °F
저장 조건: 2 · Storage temp. 2-8°C
용해도: 디클로로메탄 에 용해됨
물리적 상태: 기름
색상: 갈색
InChI: 1S/C7H14O4/c1-9-6(8)4-5-7(10-2)11-3/h7H,4-5H2,1-3H3
InChIKey: MMRXJPOAPCEDLP-UHFFFAOYSA-N
SMILES: COC(CCC(=O)OC)OC

화학적 성질

Brown Oil

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도4,4-Dimethoxybutanoic Acid Methyl Ester (cas# 4220-66-0) is a compound useful in organic synthesis.

일반 설명Methyl 4,4-dimethoxybutyrate (methyl 4,4-dimethoxybutanoate) can be prepared by the electrochemical ring-opening of furan-2-carboxylic acid in the presence of methanol and using graphite electrode.