다이메틸 숙시노숙신
1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester
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기본 정보
- CAS
6289-46-9- 표준 SMILES
COC(=O)C1CC(=O)C(C(=O)OC)CC1=O- InChIKey
MHKKFFHWMKEBDW-UHFFFAOYSA-N- 분자식
- C10H12O6
- 평균 분자량
- 228.2 g/mol
- 단동위원소 질량
- 228.0633881
이름 및 식별자
- 우선 이름
- 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester
- IUPAC
- dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
- 현지명
- 다이메틸 숙시노숙신
- 영어명
- 2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester
- 분자식
- C10H12O6
- 분자량
- 228.2
이름 및 동의어
Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylateDimethyl succinylsuccinateSuccinosuccinic acid, dimethyl esterDTXSID3027617NSC 5670Dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylateEINECS 228-528-9NSC 122567AI3-14663DTXCID0076171,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl esterEC 228-528-9
이름 더 보기
다이메틸숙시노숙신다이메틸숙시노숙신2,5-디옥소-1,4-시클로헥산디카르복실산디메틸에스테르DMSSdimethyl succinosuccinateDIMETHYL SUCCINYLOSUCCINATE2,5-dioxo-1,4-cyclohDimethyl succinate succinateDiMethyl succinylo succinate, 99+%Succinosuccinic acid dimethyl esterSuccinylsuccinic acid dimethyl ester
1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl esterRefChem:416587228-528-9InChI=1/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h11-12H,3-4H2,1-2H3XZBODPPGVQZFEG-UHFFFAOYSA-6289-46-9Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylateMFCD00001607
데이터베이스 식별자
- CAS
6289-46-9- PubChem CID
- 94866
- DTXSID
DTXSID3027617- ChEMBL
CHEMBL3185753- EC Number
- 228-528-9
- Nikkaji
- J160.439B
물성
구조 계산 물성보충 중
- XLogP
- -0.4
- 극성 표면적
- 86.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 311
실험 및 물리화학적 성질
Physical DescriptionCBI
물리화학적 성질
- 녹는점
- 154 · 154-157 °C
- 끓는 점
- 330 °C · 330°C (rough estimate)
- 밀도
- 1.3792 · 1.3792 (rough estimate)
- 증기압
- 0 · 0-0.002Pa at 20-50℃
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 미세 결정성 분말
- 산도 계수 (pKa)
- 9.04 · 9.04±0.40(Predicted)
- 색상
- 흰색에서 밝은 황록색까지
- 수용성
- 0.0016 g/L · 물에 용해됨 0.0016g/L.
- InChI
- InChI=1S/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3
- InChIKey
- MHKKFFHWMKEBDW-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)CC(=O)C(C(OC)=O)CC1=O
- LogP
- 2.49 at · 2.49 at 23℃ and pH7
- EPA
- 1 · 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester (6289-46-9)
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 94.6% (106 of 112) of all reports.
Not Classified
Aggregated GHS information provided per 112 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester
1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-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)
REACH registered substance: Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate (EC: 228-528-9)
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- HS 번호
- 29145090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26-24/25
- 기존화학 물질
- KE-11854
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester: ACTIVE
응용 분야
용도Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate is used in the production of pigments such as pigment red 122 and pigment violet 19. It also can react with 2,4-diamino-phenol to get 2,5-bis-(3-amino-4-hydroxy-phenylamino)-cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester.
상·하류 제품 정보
상류 원료
관련 반응
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