Dimethyl oxalate (HCID 11120)

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 물성

XLogP: -0.2
극성 표면적: 52.6 Å²
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]

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.)
인화점: 167 °F · 167 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 50 mg/mL, · 에탄올: 가용성 50mg/mL, 투명하거나 매우 약간 흐릿함, 무색
물리적 상태: 결정질 고체
색상: 무색~백색
Specific Gravity: 1.148 · 1.148
수소이온지수(pH): 1 · 1 (60g/l, H2O, 20℃)
수용성: 60 G/L · 60G/L(25℃)
Merck: 14 · 14,6106
BRN: 1071744 · 1071744
Henry's Law Constant: 3.4 · 3.4×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant: 3 · 3.0(20℃)
안정성: 안정적인. 타기 쉬운. 강한 산화제, 산, 염기, 환원제와 호환되지 않습니다.
화장품 원료 기능: 가소제킬레이팅용제
InChI: 1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3
InChIKey: LOMVENUNSWAXEN-UHFFFAOYSA-N
SMILES: COC(=O)C(=O)OC
LogP: -0.17 · -0.170
NIST: Ethanedioic acid, dimethyl ester(553-90-2)
EPA: Ethanedioic acid, dimethyl ester (553-90-2)

화학적 성질

The empirical formula of dimethyl oxalate is C4H6O4. It exists as a liquid between its pour point (52°C) and boiling point (163.4°C). It is soluble in ethanol and ether and slightly soluble in water.

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 4건

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 · 2건

Acute Tox. 4 (69.6%)

Acute toxicity - category 4

안전 및 보호

Protective Action Criteria (PAC) · 3건

4.7 [mg/m3]

52 [mg/m3]

310 [mg/m3]

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: RO2850000
ridadr: 1759
HS 번호: 2917 11 00
risk_code: 36/38-36-22
hazard_code: Xi,Xn
safety_code: 26-36/37-24/25-23
포장분류: III
위험 등급: 6.1(b)
기존화학 물질: KE-11708
자연 발화 온도: 480 °C
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

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 · 4건

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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

邹平铭远进出口贸易有限公司18364991597

济南宏嘉化工有限公司15253128188; 15253128188

연결된 노트

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다이메틸옥살레이트

기본 정보

개요