Dimethylmalonic acid
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기본 정보
- CAS
595-46-0- 표준 SMILES
CC(C)(C(=O)O)C(=O)O- InChIKey
OREAFAJWWJHCOT-UHFFFAOYSA-N- 분자식
- C5H8O4
- 평균 분자량
- 132.11 g/mol
- 단동위원소 질량
- 132.04225873
개요
Dimethylmalonic acid is a dicarboxylic acid that is malonic acid in which both methylene hydrogens have been replaced by methyl groups. It has a role as a fatty acid synthesis inhibitor.
이름 및 식별자
- 우선 이름
- Dimethylmalonic acid
- IUPAC
- 2,2-dimethylpropanedioic acid
- 영어명
- Dimethylmalonic acid
- 분자식
- C5H8O4
- 분자량
- 132.11
이름 및 동의어
DIMETHYLMALONIC ACID595-46-02,2-Dimethylmalonic aciddimethylpropanedioic acidPropanedioic acid, dimethyl-2,2-dimethylpropanedioic acid2,2-Propanedicarboxylic acidMalonic acid, dimethyl-DTXSID5060489NSC-836CHEBI:11151755981WKX6B
이름 더 보기
DimethylmalonicRARECHEM AL BO 1448diMethyl-panedioicaciMalonicacid, dimethyl-DimethylmalonicAcid>Dimethylmalonic acid 98%dimethyl-propanedioicaciDIMETHYL-PROPANEDIOIC ACID
Propanedioic acid, 2,2-dimethyl-RefChem:588570DTXCID3042635209-867-1MFCD00004193propanedioic acid dimethyldimethyl-malonic acid2,2-dimethyl-propanedioic acid
데이터베이스 식별자
- CAS
595-46-0- PubChem CID
- 11686
- DTXSID
DTXSID5060489- ChEMBL
CHEMBL3360549- ChEBI
CHEBI:111517- UNII
- 55981WKX6B
- EC Number
- 209-867-1
- Nikkaji
- J6.778D
물성
구조 계산 물성보충 중
- XLogP
- 0.4
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 131
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
SpringerMaterials PropertiesCrystal structure
LogP
0.39
0.26
Solubility90 mg/mL at 13 °C
Melting Point192 °C
Vapor Pressure0.0014 [mmHg]
Physical Description
White crystalline solid; [Sigma-Aldrich MSDS]
Solid
물리화학적 성질
- 녹는점
- 191 · 191-193 °C (lit.)
- 끓는 점
- 292.77 °C · 292.77°C (rough estimate)
- 밀도
- 1.5633 · 1.5633 (rough estimate)
- 굴절률
- 1.4016 · 1.4016 (estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Propanedioic acid, dimethyl-
Propanedioic acid, dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Malonic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29171900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-11810
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanedioic acid, 2,2-dimethyl-: ACTIVE
상·하류 제품 정보
하류 제품
추가 설명
정의ChEBI: A dicarboxylic acid that is malonic acid in which both methylene hydrogens have been replaced by methyl groups.
관련 반응
14건
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