디메틸메틸말로네이트

Dimethyl methylmalonate

HCID 69104CAS 609-02-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C(C)C(=O)OC
InChIKey: LRBPFPZTIZSOGG-UHFFFAOYSA-N
분자식: C6H10O4
평균 분자량: 146.14 g/mol
단동위원소 질량: 146.0579088

이름 및 식별자

우선 이름: Dimethyl methylmalonate
IUPAC: dimethyl 2-methylpropanedioate
현지명: 디메틸메틸말로네이트
영어명: Dimethyl methylmalonate
분자식: C6H10O4
분자량: 146.14

이름 및 동의어

Dimethyl methylmalonate609-02-9Dimethyl 2-methylmalonatedimethyl 2-methylpropanedioatePropanedioic acid, methyl-, dimethyl ester1,3-dimethyl 2-methylpropanedioateMalonic acid, methyl-, dimethyl esterZG8ZA68IB3EINECS 210-173-6UNII-ZG8ZA68IB3NSC 143779NSC-143779

이름 더 보기

디메틸메틸말로네이트Dimethyl isosuccinateEthylidenebis(formic acid methyl) esterIsosuccinic acid dimethylMethylmalonic acid dimethylDimethyl Methylmalonate,>98%imethyl2-methylpropanedioate

Propanedioic acid, 2-methyl-, 1,3-dimethyl esterDTXSID5060564METHYLPROPANEDIOIC ACID DIMETHYL ESTERPropanedioic acid, 2-methyl-, dimethyl esterRefChem:134255DTXCID3042897Malonic acid, methyl-, dimethyl ester (8CI)210-173-6

데이터베이스 식별자

CAS: 609-02-9
PubChem CID: 69104
DTXSID: DTXSID5060564
UNII: ZG8ZA68IB3
EC Number: 210-173-6
Nikkaji: J45.105C

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 125

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

끓는 점: 176 · 176-177 °C(lit.)
밀도: 1.098 g/mL · 1.098 g/mL at 25 °C(lit.)
증기압: 0.2 mm · 0.2 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.414(lit.)
인화점: 169 °F · 169 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 13.08 · 13.08±0.46(Predicted)
Specific Gravity: 1.1 · approximate 1.10 (20℃)
색상: 무색
InChI: InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3
InChIKey: LRBPFPZTIZSOGG-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(C)C(OC)=O
NIST: Propanedioic acid, methyl-, dimethyl ester(609-02-9)
EPA: Propanedioic acid, methyl-, dimethyl ester (609-02-9)

화학적 성질

colorless to clear liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (50%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2917198090
기존화학 물질: KE-24867
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanedioic acid, 2-methyl-, 1,3-dimethyl ester: INACTIVE

응용 분야

용도Dimethyl methylmalonate is a versatile compound with multiple uses in the chemical industry. It is a key ingredient in the synthesis of flavours and other organic compounds.

일반 설명Dimethyl methylmalonate is an ester. Microwave-enhanced Pd(0)/acetic acid catalyzed allylation of C, N and O-nucleophiles with dimethyl methylmalonate has been reported.

상·하류 제품 정보

상류 원료

하류 제품

2(1H)-피리디논,4-하이드록시-3,6-디메틸-4-하이드록시-3,6-디메틸-2H-피란-2-온

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

연결된 노트

불러오는 중…