다이메틸말리에이트
Dimethyl maleate
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기본 정보
- CAS
23055-10-9- 표준 SMILES
COC(=O)/C=C\C(=O)OC- InChIKey
LDCRTTXIJACKKU-ARJAWSKDSA-N- 분자식
- C6H8O4
- 평균 분자량
- 144.12 g/mol
- 단동위원소 질량
- 144.04225874
개요
Dimethyl maleate is a maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with methanol. It is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis. It is a methyl ester, a maleate ester and a diester. It is functionally related to a methanol.
이름 및 식별자
- 우선 이름
- Dimethyl maleate
- IUPAC
- dimethyl (Z)-but-2-enedioate
- 현지명
- 다이메틸말리에이트
- 영어명
- Dimethyl maleate
- 분자식
- C6H8O4
- 분자량
- 144.13
이름 및 동의어
Dimethyl maleate624-48-6METHYL MALEATESipomer DMMMaleic acid, dimethyl esterDimethyl cis-butenedioate2-Butenedioic acid (Z)-, dimethyl esterDimethyl cis-ethylenedicarboxylateDTXSID40407652-Butenedioic acid, dimethyl ester, (Z)-Dimethylester kyseliny maleinove2-Butenedioic acid (2Z)-, 1,4-dimethyl ester
이름 더 보기
다이메틸말리에이트(E/Z)-Dimethyl fumarateDimethyl 2-butenedioatedimethyl but-2-enedioate2-Butenedioic acid, 1,4-dimethyl esterdimethyl (2E)-but-2-enedioate (en)2-Butenedioic acid, dimethyl ester (en)
NSC-5161K39366X5N0DTXCID2020765CHEBI:35460RefChem:588282210-848-5dimethyl (Z)-but-2-enedioateMaleic Acid Dimethyl Ester
데이터베이스 식별자
- CAS
23055-10-9、624-48-6- PubChem CID
- 5271565
- DTXSID
DTXSID4040765- ChEMBL
CHEMBL2259700- ChEBI
CHEBI:35460- UNII
- K39366X5N0
- EC Number
- 210-848-5
- Nikkaji
- J45.018I
물성
구조 계산 물성보충 중
- XLogP
- 0.7
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 141
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Esters, Other
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsEmollient
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.3 [mmHg]
Food Contact Substances
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 101 · 101-102 °C (sublm)
- 끓는 점
- 215 · 215-220 °C
- 밀도
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- 화장품 원료 기능
- 피부 컨디셔닝 - 보습제용제
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 175 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
유해성 정보
Regulatory Information
Chemical: 2-Butenedioic acid, (Z)-, dimethyl ester
Chemical: 2-Butenedioic acid, dimethyl ester
Status: Active Update: 06-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10938
2-Butenedioic acid (2Z)-, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Maleic acid esters (short chain)
Hazards Summary
A skin and eye irritant in rabbits; Skin sensitization observed in guinea pigs; [EPA ChAMP: Screening Level Hazard Characterization] A mild to severe eye irritant; Dermal LD50 (rabbit) = 530 uL/kg; [RTECS] Causes burns; May cause skin sensitization; Harmful by ingestion; ECHA REACH Registrations] A skin and strong eye irritant; May cause skin sensitization; Harmful by ingestion; Toxic by skin absorption; [Sigma-Aldrich MSDS] See Maleic acid.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity (ingestion) - category 4
Acute toxicity (Oral) - Category 4
Skin sensitization - Category 1A
화학 및 산업
용도 및 제조
UsesUsed to make chemicals and polymers; [IUCLID] Used to make fine and large scale chemicals; [ECHA REACH Registrations]
Use ClassificationCosmetics -> Emollient
General Manufacturing Information2-Butenedioic acid (2Z)-, 1,4-dimethyl ester: ACTIVE
관련 반응
40건
화합물 노트
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