Ditridecylmaleat

2-Butenedioic acid (2Z)-, 1,4-ditridecyl ester

HCID 6437427CAS 61791-92-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCCCCC
InChIKey: DFKBFBPHOGVNGQ-QPLCGJKRSA-N
Summenformel: C30H56O4
Durchschnittliche Molmasse: 480,8 g/mol
Monoisotopische Masse: 480,41786026

Namen und Bezeichner

Bevorzugter Name: 2-Butenedioic acid (2Z)-, 1,4-ditridecyl ester
IUPAC: ditridecyl (Z)-but-2-enedioate
Lokaler Name: Ditridecylmaleat
Englischer Name: ditridecyl maleate
Summenformel: C30H56O4
Molmasse: 480.76

Namen und Synonyme

Ditridecyl maleate2-Butenedioic acid (2Z)-, ditridecyl esterEINECS 263-208-2EC 263-208-22-Butenedioic acid (2Z)-, 1,4-ditridecyl esterRefChem:4676611,4-Ditridecyl (2Z)-2-butenedioate263-208-261791-92-2ditridecyl (Z)-but-2-enedioateSCHEMBL444959Ditridecyl (2Z)-2-butenedioate

Weitere Namen anzeigen

Maleic acid ditridecyl ester

DTXSID20893557Ditridecyl (2Z)-but-2-enedioateDB-220418

Datenbank-Bezeichner

CAS: 61791-92-2
PubChem CID: 6437427
DTXSID: DTXSID20893557
EC Number: 263-208-2
Nikkaji: J114.867B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 12,5
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 28
Schwere Atome: 34
Formalladung: 0
Komplexität: 430

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

EPA chemische Informationen: 2 · 2-Butenedioic acid (2Z)-, ditridecyl ester (61791-92-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 95.7% (22 of 23) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 22 of 23 companies (only 4.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 23 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 22 of 23 reports by companies.；There is 1 notification provided by 1 of 23 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 · 2 Einträge

2-Butenedioic acid (2Z)-, 1,4-ditridecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenedioic acid (2Z)-, 1,4-ditridecyl 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)

Status: Active Update: 08-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16369

Hazard Classes and CategoriesNot Classified