Grundinformationen
- Standard-SMILES
CC(C)OC(=O)CCC(=O)OC(C)C- InChIKey
YPLYFEUBZLLLIY-UHFFFAOYSA-N- Summenformel
- C10H18O4
- Durchschnittliche Molmasse
- 202,25 g/mol
- Monoisotopische Masse
- 202,12050905
Namen und Bezeichner
- Bevorzugter Name
- Diisopropyl succinate
- IUPAC
- dipropan-2-yl butanedioate
- Lokaler Name
- Diisopropylsuccinat
- Englischer Name
- Diisopropyl succinate
- Summenformel
- C10H18O4
- Molmasse
- 202.25
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
924-88-9- PubChem CID
- 70213
- DTXSID
DTXSID9044740- ChEMBL
CHEMBL3187741- UNII
- 99B062LA62
- EC Number
- 213-110-0
- Nikkaji
- J136.529K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 174
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 263 °C · 263.0 °C
- Siedepunkt
- 228 °C · 228 °C
- Dichte
- 0 · 0,99 g/cm3
- Dampfdruck
- 12.2 Pa · 12.2Pa at 25℃
- Brechungsindex
- 1.417 to · 1.4170 to 1.4190
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- solid
- Farbe
- Colorless to Almost colorless
- 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
- CAS Datenbank
- 924 · 924-88-9(CAS DataBase Reference)
- NIST chemische Informationen
- Succinic acid diisopropyl ester(924-88-9)
- EPA chemische Informationen
- Butanedioic acid, bis(1-methylethyl) ester (924-88-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
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
Regulatorische Informationen
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
Sicherheitsdaten
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2917.19.1700
- risk_code
- 36/37/38-52/53
- safety_code
- 26-36/37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 3
Chemie und Industrie
Verwendung und Herstellung
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
Anwendungen
VerwendenDiisopropyl Succinate is used in preparation of Heterocyclic Pyrrolopyrrole Diketone quaternary Ammonium Salt as Copper electroplating leveling agent.
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