Dimethylnaphthalin-2,6-dicarboxylat

Dimethyl-2,6-naphthalenedicarboxylate

HCID 61225CAS 840-65-3

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc2cc(C(=O)OC)ccc2c1
InChIKey: GYUVMLBYMPKZAZ-UHFFFAOYSA-N
Summenformel: C14H12O4
Durchschnittliche Molmasse: 244,24 g/mol
Monoisotopische Masse: 244,07355886

Namen und Bezeichner

Bevorzugter Name: Dimethyl-2,6-naphthalenedicarboxylate
IUPAC: dimethyl naphthalene-2,6-dicarboxylate
Lokaler Name: Dimethylnaphthalin-2,6-dicarboxylat
Englischer Name: Dimethyl 2,6-naphthalenedicarboxylate
Summenformel: C14H12O4
Molmasse: 244.24

Namen und Synonyme

Dimethyl 2,6-naphthalenedicarboxylate840-65-3Dimethyl naphthalene-2,6-dicarboxylate2,6-Dicarbomethoxynaphthalene2,6-NAPHTHALENEDICARBOXYLIC ACID, DIMETHYL ESTERDimethyl-2,6-naphthalenedicarboxylateDTXSID6029202dimethyl 2,6-naphthalateDimethyl 2,6-napthalenedicarboxylateEINECS 212-661-4X4Q5T8RS0GNSC 59387

Weitere Namen anzeigen

NDCndcmTIMTEC-BB SBB007910dimethyl2,6-naphthalateDimethylnaphthalin-2,6-dicarboxylatDimethyl 2,6-phthalenedicarboxylate

ORISTAR DMNDCNSC-593872,6-Naphthalene dicarboxylic acid, dimethyl ester2,6-Naphthalenedicarboxylic acid, 2,6-dimethyl esterDTXCID109202GYUVMLBYMPKZAZ-UHFFFAOYSA-EC 212-661-42,6-Naphthalic Acid Dimethyl Ester

Datenbank-Bezeichner

CAS: 840-65-3
PubChem CID: 61225
DTXSID: DTXSID6029202
ChEMBL: CHEMBL3188234
UNII: X4Q5T8RS0G
EC Number: 212-661-4
Nikkaji: J40.514K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 18
Formalladung: 0
Komplexität: 294

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesFusion temperature

Food Contact Substances · 2 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionDry Powder

Physikochemische Eigenschaften

Schmelzpunkt: 187 · 187-193 °C(lit.)
Siedepunkt: 347.16 °C · 347.16°C (rough estimate)
Dichte: 1.2379 · 1.2379 (rough estimate)
Dampfdruck: 0 Pa · 0Pa at 25℃
Brechungsindex: 1.5389 · 1.5389 (estimate)
Flammpunkt: 232 °C · 232°C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Wasserlöslichkeit: Soluble in hot toluene (very faint turbidity). Insoluble in water.
BRN: 987259 · 987259
Henry's Law Constant: 4.5 · 4.5×102 mol/(m3Pa) at 25℃, Zhang et al. (2010)
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONING
InChI: InChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3
InChIKey: GYUVMLBYMPKZAZ-UHFFFAOYSA-N
SMILES: C1=C2C(C=C(C(OC)=O)C=C2)=CC=C1C(OC)=O
LogP: 3.5 at · 3.5 at 25℃
CAS Datenbank: 840 · 840-65-3(CAS DataBase Reference)
EPA chemische Informationen: 2 · Dimethyl 2,6-naphthalenedicarboxylate (840-65-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 98% (97 of 99) of all reports.

Not Classified

Aggregated GHS information provided per 99 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 2,6-Naphthalenedicarboxylic acid, 2,6-dimethyl ester

2,6-Naphthalenedicarboxylic acid, 2,6-dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Naphthalenedicarboxylic acid, 2,6-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)

Status: Active Update: 29-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11703

2,6-Naphthalenedicarboxylic acid, dimethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified