다이메틸옥살레이트
Dimethyl oxalate
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기본 정보
- CAS
553-90-2- 표준 SMILES
COC(=O)C(=O)OC- InChIKey
LOMVENUNSWAXEN-UHFFFAOYSA-N- 분자식
- C4H6O4
- 평균 분자량
- 118.09 g/mol
- 단동위원소 질량
- 118.02660867
개요
Methyl oxalate is a member of dicarboxylic acids and O-substituted derivatives, a methyl ester and a diester. It is functionally related to an oxalic acid.
이름 및 식별자
- 우선 이름
- Dimethyl oxalate
- IUPAC
- dimethyl oxalate
- 현지명
- 다이메틸옥살레이트
- 영어명
- Dimethyl oxalate
- 분자식
- C4H6O4
- 분자량
- 118.09
이름 및 동의어
Dimethyl oxalate553-90-2METHYL OXALATEOxalic acid dimethyl esterEthanedioic acid, dimethyl esterDimethyloxalateOxalic acid, dimethyl esterdimethyl ethanedioateMFCD00008442IQ3Q79344SNSC-9374Ethanedioic acid, 1,2-dimethyl ester
이름 더 보기
다이메틸옥살레이트DMOOXALIC ACID METHYL ESTERDimethyl ester of oxalic acid209-053-6CH3OCOCOOCH3Oxalic acid Me
dimethyl ethane-1,2-dioateNSC 9374EINECS 209-053-6UNII-IQ3Q79344SAI3-21214SCHEMBL8295METHYL OXALATE [MI]CHEBI:6859
데이터베이스 식별자
- CAS
553-90-2- PubChem CID
- 11120
- DTXSID
DTXSID9060287- ChEBI
CHEBI:6859- UNII
- IQ3Q79344S
- EC Number
- 209-053-6
- Nikkaji
- J2.653K
물성
구조 계산 물성보충 중
- XLogP
- -0.2
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 92.6
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Esters, Other
CosmeticsChelating
SpringerMaterials PropertiesBoiling point
LogP-0.17
Density1.148 @25 °C
Boiling Point163.5 °C @760 [mm Hg]
Vapor Pressure1.14 [mmHg]
Physical DescriptionColorless solid; [Merck Index] White crystalline aggregates; [MSDSonline]
물리화학적 성질
- 녹는점
- 50 · 50-54 °C (lit.)
- 끓는 점
- 163.5 °C · 163.5 °C (lit.)
- 밀도
- 1.148 g/mL · 1.148 g/mL at 25 °C (lit.)
- 증기압
- 3 hPa · 3 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.39(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 191) of reports.
Danger
H302 (69.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 191 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: Ethanedioic acid, dimethyl ester
Ethanedioic acid, 1,2-dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanedioic acid, 1,2-dimethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 19-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25766
Ethanedioic acid, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanedioic acid, dimethyl ester: Environment tier I assessment
Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and Categories
Acute Tox. 4 (69.6%)
Acute toxicity - category 4
안전 및 보호
화학 및 산업
용도 및 제조
U.S. Production2020: 84,920 lb
Use ClassificationCosmetics -> Chelating
General Manufacturing InformationEthanedioic acid, 1,2-dimethyl ester: ACTIVE
응용 분야
개요Dimethyl oxalate is a chemical compound with formula (CH3)2(COO)2. It is the dimethyl ester of oxalic acid.
일반 설명Dimethyl oxalate (DMO), (CH3OCO)2 is an industrial chemical intermediate with versatile properties. DMO is used as a solvent and extraction agent to produce ethylene glycol, ethanol, oxalic acid, oxamide, dyes, and medicines. Besides, dimethyl carbonate (DMC), (CH3O)2CO is attracting lots of interest because of its excellent solubility, biodegradability and low toxicity. DMC could be used as a green solvent, as electrolytes in lithium batteries, as a potential fuel additive and for polycarbonate synthesis[1].
용도Dimethyl oxalate is used as an alternate fuel in the direct oxidation fuel cell. It is involved in the catalytic hydrogenation using Cu/SiO22ub> to prepare ethylene glycol. It is also used in the selective gas-phase hydrogenation catalyzed by Ag/SiO2 to get the corresponding alcohol.
일반 설명Dimethyl oxalate undergoes Cu/SiO2 catalyzed hydrogenation to yield ethylene glycol. It undergoes selective gas-phase hydrogenation catalyzed by Ag/SiO2 to yield corresponding alcohol.
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