2-(2-Hydroxyethoxy)ethylbenzoat

Diethylene glycol monobenzoate

HCID 88603

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Grundinformationen

CAS: 20587-61-5
Standard-SMILES: O=C(OCCOCCO)c1ccccc1
InChIKey: DNUPYEDSAQDUSO-UHFFFAOYSA-N
Summenformel: C11H14O4
Durchschnittliche Molmasse: 210,23 g/mol
Monoisotopische Masse: 210,08920893

Überblick

diethylene glycol monobenzoate has been reported in Santalum album with data available.

Namen und Bezeichner

Bevorzugter Name: Diethylene glycol monobenzoate
IUPAC: 2-(2-hydroxyethoxy)ethyl benzoate
Lokaler Name: 2-(2-Hydroxyethoxy)ethylbenzoat
Englischer Name: 2-(2-hydroxyethoxy)ethyl benzoate
Summenformel: C11H14O4
Molmasse: 210.23

Namen und Synonyme

2-(2-Hydroxyethoxy)ethyl benzoate20587-61-5Diethylene glycol monobenzoateEthanol, 2-[2-(benzoyloxy)ethoxy]-Diethylene glycol benzoateEthanol, 2-(2-(benzoyloxy)ethoxy)-Ethanol, 2,2'-oxybis-, monobenzoateEINECS 243-895-5NSC 71576U8NT2B98P1AI3-13034NSC-71576

Weitere Namen anzeigen

2-[2-(benzoyloxy)ethoxy]-EthanolBenzoic acid 2-(2-hydroxyethoxy)ethyl ester

DTXSID6041921RefChem:587373DTXCID4021921Ethanol, 2-2-(benzoyloxy)ethoxy-243-895-5MFCD189677612-?(2-?Hydroxyethoxy)?ethyl BenzoateDiethylene glycol, monobenzoate

Datenbank-Bezeichner

CAS: 20587-61-5
PubChem CID: 88603
DTXSID: DTXSID6041921
UNII: U8NT2B98P1
EC Number: 243-895-5
Nikkaji: J48.627B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 7
Schwere Atome: 15
Formalladung: 0
Komplexität: 175

Experimentelle und physikochemische Eigenschaften

Food Contact Substances · 2 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical DescriptionLiquid

Physikochemische Eigenschaften

Siedepunkt: 127 · 127-130 °C(Press: 5 Torr)
Dichte: 1.1715 g/cm3 · 1.1715 g/cm3
pka: 14.34 · 14.34±0.10(Predicted)
EPA chemische Informationen: 2 · Ethanol, 2-[2-(benzoyloxy)ethoxy]- (20587-61-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (100 of 100) of all reports.

Not Classified

Aggregated GHS information provided per 100 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Ethanol, 2-[2-(benzoyloxy)ethoxy]-

Ethanol, 2-[2-(benzoyloxy)ethoxy]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-[2-(benzoyloxy)ethoxy]- 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)

Ethanol, 2-2-(benzoyloxy)ethoxy-: 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