기본 정보
- CAS
597-43-3- 표준 SMILES
CC(C)(CC(=O)O)C(=O)O- InChIKey
GOHPTLYPQCTZSE-UHFFFAOYSA-N- 분자식
- C6H10O4
- 평균 분자량
- 146.14 g/mol
- 단동위원소 질량
- 146.0579088
개요
2,2-dimethylsuccinic acid is an alpha,-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 2 respectively. It is functionally related to a succinic acid. It is a conjugate acid of a 2,2-dimethylsuccinate(2-).
이름 및 식별자
- 우선 이름
- 2,2-Dimethylsuccinic acid
- IUPAC
- 2,2-dimethylbutanedioic acid
- 영어명
- 2,2-Dimethylsuccinic acid
- 분자식
- C6H10O4
- 분자량
- 146.14
이름 및 동의어
2,2-DIMETHYLSUCCINIC ACID597-43-32,2-Dimethylbutanedioic acidButanedioic acid, 2,2-dimethyl-DTXSID6021581MX6TVR2107NSC-408419DTXCID901581CHEBI:86537RefChem:441478209-899-62,2-DimethylsuccinicAcid
이름 더 보기
DiMethylsuccinic Aci2-DiMethylsuccinic acid2,2-dimethylsuccinicaci2,2-Dimethlsuccinic acid3,3-Dimethylsuccinic acid2,2-Dimethylbernsteinsure2,2-DimethylsuccinicAcid>
MFCD000041962,2-dimethyl-butanedioic acidSuccinic acid, 2,2-dimethyl-2,2-dimethyl-succinic acid2,2-Dimethyl SuccinateEINECS 209-899-62.2-Dimethylsuccinic acid3,3-dimethyl succinic acid
데이터베이스 식별자
- CAS
597-43-3- PubChem CID
- 11701
- DTXSID
DTXSID6021581- ChEMBL
CHEMBL3186607- ChEBI
CHEBI:86537- UNII
- MX6TVR2107
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 159
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
SpringerMaterials PropertiesBoiling point
Solubility70 mg/mL at 14 °C
Melting Point140.5 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 138 · 138-142 °C (lit.)
- 끓는 점
- 311.39 °C · 311.39°C (rough estimate)
- 밀도
- 1.4528 · 1.4528 (rough estimate)
- 굴절률
- 1.4328 · 1.4328 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 3.8 · 3.80±0.10(Predicted)
- 색상
- 흰색에서 거의 흰색
- 수용성
- 70 g/L · 70g/L(14ºC)
- BRN
- 1764476 · 1764476
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29171900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Derivatives of 2,2-dimethylsuccinic acid serve as precursors for the synthesis of specific isoprenoids[1]. The compound acts as a starting material for synthesizing dimethyl 2,2-dimethylsuccinate via esterification with methanol and sulfuric acid, and serves as a ligand in the preparation of the bio-MOF Cu-AD-DMSA alongside copper nitrate and adenine[1][3]. It reacts with (PyH)5[MoOCl4(H2O)]3Cl2 in the presence of base to afford pyridinium salts of the [Mo2O4Cl4(μ2-dmsH)]3− complex[2].
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
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