2-[(Acetyloxy)methoxy]ethylacetat

2-((Acetyloxy)methoxy)ethyl acetate

HCID 100999CAS 59278-00-1

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Grundinformationen

Standard-SMILES: CC(=O)OCCOCOC(C)=O
InChIKey: XFEQOLXBMLXKDE-UHFFFAOYSA-N
Summenformel: C7H12O5
Durchschnittliche Molmasse: 176,17 g/mol
Monoisotopische Masse: 176,06847348

Namen und Bezeichner

Bevorzugter Name: 2-((Acetyloxy)methoxy)ethyl acetate
IUPAC: 2-(acetyloxymethoxy)ethyl acetate
Lokaler Name: 2-[(Acetyloxy)methoxy]ethylacetat
Englischer Name: 2-[(Acetyloxy)methoxy]ethyl acetate
Summenformel: C7H12O5
Molmasse: 176.17

Namen und Synonyme

59278-00-12-[(Acetyloxy)methoxy]ethyl acetate2-((Acetyloxy)methoxy)ethyl acetateDTXSID40207995EINECS 261-686-7RefChem:449782DTXCID90130486261-686-7(2-acetoxyethoxy)methyl acetate2-Oxa-1,4-Butanediol Diacetate1,4-diacetoxy-2-oxabutane2-(acetyloxymethoxy)ethyl acetate

Weitere Namen anzeigen

Acyclovirsidechain2-[(Acetyloxy)methoxAciclovir Impurity 38Acyclovir lateral chainValacyclovir Impurity 23Acecloguanosine lateral chain2-Oxo-1,4-Butanediol Diacetate

(2-Acetoxyethoxy)methylacetateMFCD09031327[2-(ACETYLOXY)ETHOXY]METHYL ACETATE2-Acetoxyethyl acetoxymethyl ether67429-12-31-acetoxy-2-acetoxymethoxyethaneAKOS006290330AS-12667

Datenbank-Bezeichner

CAS: 59278-00-1
PubChem CID: 100999
DTXSID: DTXSID40207995
EC Number: 261-686-7
Nikkaji: J308.655K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 61,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 7
Schwere Atome: 12
Formalladung: 0
Komplexität: 154

Physikochemische Eigenschaften

Siedepunkt: 114 · 114-1180C/4Torr
Dichte: 1.1382 g/cm3 · 1.1382 g/cm3
Brechungsindex: 1.421 to · 1.4210 to 1.4250
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Stabilität: 40 C · Below 40C
InChI: InChI=1S/C7H12O5/c1-6(8)11-4-3-10-5-12-7(2)9/h3-5H2,1-2H3
InChIKey: XFEQOLXBMLXKDE-UHFFFAOYSA-N
SMILES: C(OC(=O)C)COCOC(C)=O
CAS Datenbank: 59278 · 59278-00-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.