Grundinformationen
- Standard-SMILES
COC(=O)CCC(=O)OC.COC(=O)CCCC(=O)OC.COC(=O)CCCCC(=O)OC- InChIKey
QYMFNZIUDRQRSA-UHFFFAOYSA-N- Summenformel
- C21H36O12
- Durchschnittliche Molmasse
- 480,5 g/mol
- Monoisotopische Masse
- 480,22067658
Namen und Bezeichner
- Bevorzugter Name
- Hexanedioic acid, 1,6-dimethyl ester, mixt. with 1,4-dimethyl butanedioate and 1,5-dimethyl pentanedioate
- IUPAC
- dimethyl butanedioate;dimethyl hexanedioate;dimethyl pentanedioate
- Englischer Name
- DIBASIC ESTER
- Summenformel
- C21H36O12
- Molmasse
- 480.51
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
95481-62-2- PubChem CID
- 125339
- EC Number
- 619-131-5、937-156-2
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 158 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 18
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 374
Physikochemische Eigenschaften
- Schmelzpunkt
- -20 °C · -20°C
- Siedepunkt
- 196 · 196-225 °C(lit.)
- Dichte
- 1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.2 mm · 0.2 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.424(lit.)
- Flammpunkt
- 212 °F · 212 °F
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- liquid
- Explosionsgrenze
- 8 % · 8%
- Wasserlöslichkeit
- 53 g/L · 53g/L
- InChI
- InChI=1S/C8H14O4.C7H12O4.C6H10O4/c1-11-7(9)5-3-4-6-8(10)12-2;1-10-6(8)4-3-5-7(9)11-2;1-9-5(7)3-4-6(8)10-2/h3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3
- InChIKey
- QYMFNZIUDRQRSA-UHFFFAOYSA-N
- SMILES
- C(=O)(OC)CCC(=O)OC.C(C(=O)OC)CCCC(=O)OC.C(C(=O)OC)CCC(=O)OC
- EPA chemische Informationen
- Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate (95481-62-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory.;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.
Not Classified;Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate 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)
Hazard Classes and Categories
Acute Tox. 4 (93.3%)
Not Classified
Regulatorische Informationen
Regulatory Information
Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate 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)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3265 8/PG 3
- hs_code
- 3824 99 92
- risk_code
- 38-41-36-36/37/38-3
- hazard_code
- Xi,E
- safety_code
- 26-36-39-35
- Speicherklasse
- 10 - Combustible liquids
- Selbstentzündungstemperatur
- 698 °F
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenDibasic ester was commonly used as lubricants, solvents, plasticizers, additives, and spin finishes. It acts as a coating agent for magnet and enamel wires, magnetic memory discs, automobiles, coils, cans, sheets, industrial paint, et cetera.
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