기본 정보
- 표준 SMILES
CC(C)OC(=O)CCC(=O)OC(C)C- InChIKey
YPLYFEUBZLLLIY-UHFFFAOYSA-N- 분자식
- C10H18O4
- 평균 분자량
- 202.25 g/mol
- 단동위원소 질량
- 202.12050905
이름 및 식별자
- 우선 이름
- Diisopropyl succinate
- IUPAC
- dipropan-2-yl butanedioate
- 현지명
- 디이소프로필숙시네이트
- 영어명
- Diisopropyl succinate
- 분자식
- C10H18O4
- 분자량
- 202.25
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
924-88-9- PubChem CID
- 70213
- DTXSID
DTXSID9044740- ChEMBL
CHEMBL3187741- UNII
- 99B062LA62
- EC Number
- 213-110-0
- Nikkaji
- J136.529K
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 174
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 263 °C · 263.0 °C
- 끓는 점
- 228 °C · 228 °C
- 밀도
- 0 · 0,99 g/cm3
- 증기압
- 12.2 Pa · 12.2Pa at 25℃
- 굴절률
- 1.417 to · 1.4170 to 1.4190
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- solid
- 색상
- 무색 내지 거의 무색
- InChI
- 1S/C10H18O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h7-8H,5-6H2,1-4H3
- InChIKey
- YPLYFEUBZLLLIY-UHFFFAOYSA-N
- SMILES
- CC(C)OC(=O)CCC(=O)OC(C)C
- LogP
- 2.2 · 2.2
- NIST
- Succinic acid diisopropyl ester(924-88-9)
- EPA
- Butanedioic acid, bis(1-methylethyl) ester (924-88-9)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 88.9% (8 of 9) of all reports.
H412 (11.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 8 of 9 reports by companies.;There is 1 notification provided by 1 of 9 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Butanedioic acid, bis(1-methylethyl) ester
Butanedioic acid, 1,4-bis(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanedioic acid, 1,4-bis(1-methylethyl) 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 02-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/13751;Status: Active Update: 17-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22067
규제 정보
Regulatory Information
Chemical: Butanedioic acid, bis(1-methylethyl) ester
Butanedioic acid, 1,4-bis(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanedioic acid, 1,4-bis(1-methylethyl) 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 02-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/13751;Status: Active Update: 17-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22067
안전 데이터
- wgk
- WGK 3
- tsca
- TSCA listed
- HS 번호
- 2917.19.1700
- risk_code
- 36/37/38-52/53
- safety_code
- 26-36/37/39
- 기존화학 물질
- KE-10963
- Hazard Classifications
- Aquatic Chronic 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
General Manufacturing Information
Printing Ink Manufacturing
Butanedioic acid, 1,4-bis(1-methylethyl) ester: ACTIVE
응용 분야
용도Diisopropyl Succinate is used in preparation of Heterocyclic Pyrrolopyrrole Diketone quaternary Ammonium Salt as Copper electroplating leveling agent.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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