Mrv0541 02251410582D          

  9  8  0  0  0  0            999 V2000
   -0.1533   -2.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5639   -3.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8703   -3.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812   -2.8845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9927   -3.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -2.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214   -3.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1386   -2.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8557   -3.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
> <ID>
CHEBI:40572

> <NAME>
diethylene glycol monoethyl ether

> <DEFINITION>
A primary alcohol that is ethanol substituted by a 2-ethoxyethoxy group at position 2.

> <STAR>
3

> <SYNONYM>
ethyl digol; Ethoxydiglycol; Ethoxy diglycol; Diglycol monoethyl ether

> <IUPAC_NAME>
2-(2-ethoxyethoxy)ethanol

> <BRAND_NAME>
Carbitol

> <FORMULA>
C6H14O3

> <MASS>
134.17360

> <MONOISOTOPIC_MASS>
134.09429

> <CHARGE>
0

> <SMILES>
CCOCCOCCO

> <INCHI>
InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3

> <INCHIKEY>
XXJWXESWEXIICW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
111-90-0

> <REAXYS_REGISTRY_NUMBER>
1736441

> <CHEMIDPLUS>
111-90-0

> <KEGG_DRUG_ACCESSION>
D08904

> <NIST_CHEMISTRY_WEBBOOK>
111-90-0

> <PDBECHEM_ACCESSION>
AE3

> <WIKIPEDIA_ACCESSION>
2-(2-Ethoxyethoxy)ethanol

> <PUBMED_CITATION>
22151944; 23754165; 24269627; 9114289

$$$$