2,2'-[Oxybis(2,1-ethandiyloxy)]bisessigsure

3,6,9-Trioxaundecanedioic acid

HCID 83793CAS 13887-98-4

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Grundinformationen

Standard-SMILES: O=C(O)COCCOCCOCC(=O)O
InChIKey: HJZZQNLKBWJYPD-UHFFFAOYSA-N
Summenformel: C8H14O7
Durchschnittliche Molmasse: 222,19 g/mol
Monoisotopische Masse: 222,07395279

Namen und Bezeichner

Bevorzugter Name: 3,6,9-Trioxaundecanedioic acid
IUPAC: 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]acetic acid
Lokaler Name: 2,2'-[Oxybis(2,1-ethandiyloxy)]bisessigsure
Englischer Name: 3,6,9-Trioxaundecanedioic acid
Summenformel: C8H14O7
Molmasse: 222.19

Namen und Synonyme

13887-98-43,6,9-Trioxaundecanedioic acidtrioxaundecanedioic acidUNII-63VXM1976AEINECS 237-655-92,2'-(Oxybis(2,1-ethanediyloxy))bisacetic acid63VXM1976ATETRAGLYCOLIC ACIDAcetic acid, (oxybis(2,1-ethanediyloxy))bis-DTXSID30160823BIS(2-(CARBOXYMETHOXY)ETHYL) ETHER2,2'-[oxybis(2,1-ethanediyloxy)]bisacetic acid

Weitere Namen anzeigen

CH2COOH-PEG3-CH2COOHAcetic acid, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-TUDSTUDASKL081CAS_13887-98-4

DIETHYLENE GLYCOL BIS(CARBOXYMETHYL ETHER)(2-(2-(CARBOXYMETHOXY)ETHOXY)ETHOXY)ACETIC ACIDRefChem:91706DTXCID7083314TRIOXAUNDECANEDIOIC ACID [INCI]2,2'-((Oxybis(ethane-2,1-diyl))bis(oxy))diacetic acidPEG3-(CH2CO2H)23,6,9-Trioxaundecandioic acid

Datenbank-Bezeichner

CAS: 13887-98-4
PubChem CID: 83793
DTXSID: DTXSID30160823
UNII: 63VXM1976A
EC Number: 237-655-9
Nikkaji: J280.362C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1
Polarare Oberfläche (TPSA): 102 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 10
Schwere Atome: 15
Formalladung: 0
Komplexität: 171

Physikochemische Eigenschaften

Siedepunkt: 443.7 · 443.7±30.0 °C(Predicted)
Dichte: 1.3 g/mL · 1.3 g/mL at 20 °C(lit.)
Dampfdruck: 0 Pa · 0Pa at 20℃
Brechungsindex: 20 · n20/D 1.470(lit.)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in Water, DMSO, DCM, DMF
Aggregatzustand: Solid-Liquid Mixture
pka: 3.09 · 3.09±0.10(Predicted)
Farbe: Off-white to yellow
PH: 1.8 · 1.8 (100g/l, H2O)
BRN: 1962084 · 1962084
Kosmetik-Inhaltsstoffe Funktionen: HUMECTANT
InChI: InChI=1S/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChIKey: HJZZQNLKBWJYPD-UHFFFAOYSA-N
SMILES: O(CCOCC(O)=O)CCOCC(O)=O
LogP: -2.56 at · -2.56 at 25℃

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Acetic acid, 2,2â²-[oxybis(2,1-ethanediyloxy)]bis-

Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25085

Acetic acid, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-: 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 CategoriesEye Dam. 1 (100%)