1,1,1-Triethoxybutane

HCID 371779CAS 24964-76-9

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Grundinformationen

Standard-SMILES: CCCC(OCC)(OCC)OCC
InChIKey: KOPMZTKUZCNGFY-UHFFFAOYSA-N
Summenformel: C10H22O3
Durchschnittliche Molmasse: 190,28 g/mol
Monoisotopische Masse: 190,15689456

Namen und Bezeichner

Bevorzugter Name: 1,1,1-Triethoxybutane
IUPAC: 1,1,1-triethoxybutane
Englischer Name: Triethyl orthobutyrate
Summenformel: C10H22O3
Molmasse: 190.28

Namen und Synonyme

1,1,1-TriethoxybutaneRefChem:409434678-319-5Triethyl Orthobutyrate24964-76-9TriethylorthobutyrateButane, 1,1,1-triethoxy-MFCD00059382NSC646223triethoxybutaneOrtho-n-butyric acid triethyl ester1,1,1-Triethoxy-butane

Weitere Namen anzeigen

Triethyl butyrateethyl orthobutyrateTriethyl orthobutyraETHYL ORTHO-N-BUTYRATETriethylOrthobutyrate>Butane, 1,1,1-triethoxy-TRIETHYL ORTHO-N-BUTYRATETriethyl orthobutyrate (TEOB)

SCHEMBL1691770CHEMBL2000498Orthobutyric Acid Triethyl EsterSCHEMBL10444956DTXSID90327334ZAA964761,1,1-Triethoxybutane, AldrichCPRAKOS009159014

Datenbank-Bezeichner

CAS: 24964-76-9
PubChem CID: 371779
DTXSID: DTXSID90327334
ChEMBL: CHEMBL2000498
EC Number: 678-319-5
Nikkaji: J208.819C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 27,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 8
Schwere Atome: 13
Formalladung: 0
Komplexität: 97

Physikochemische Eigenschaften

Siedepunkt: 63 °C · 63 °C / 10mmHg
Dichte: 0 · 0,88 g/cm3
Brechungsindex: 1.404 · 1.4040-1.4080
Flammpunkt: 58 °C · 58°C
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless
InChI: InChI=1S/C10H22O3/c1-5-9-10(11-6-2,12-7-3)13-8-4/h5-9H2,1-4H3
InChIKey: KOPMZTKUZCNGFY-UHFFFAOYSA-N
SMILES: C(OCC)(OCC)(OCC)CCC
CAS Datenbank: 24964 · 24964-76-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H227 (50%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.