Marvin  10080714092D          

  6  5  0  0  0  0            999 V2000
    0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <ID>
CHEBI:46788

> <NAME>
2-ethoxyethanol

> <DEFINITION>
A  hydroxyether that is the  ethyl ether derivative of ethylene glycol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:34272; CHEBI:42340

> <SYNONYM>
Oxitol; HOCH2CH2OC2H5; ethylene glycol monoethyl ether; ethylene glycol ethyl ether; Cellosolve; beta-ethoxyethanol; 2EE; 2-ethoxyethyl alcohol; 2-Ethoxyethanol; 2-ETHOXYETHANOL

> <IUPAC_NAME>
2-ethoxyethanol

> <FORMULA>
C4H10O2

> <MASS>
90.12100

> <MONOISOTOPIC_MASS>
90.06808

> <CHARGE>
0

> <SMILES>
CCOCCO

> <INCHI>
InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3

> <INCHIKEY>
ZNQVEEAIQZEUHB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1098271

> <CAS_REGISTRY_NUMBER>
110-80-5

> <GMELIN_REGISTRY_NUMBER>
82142

> <REAXYS_REGISTRY_NUMBER>
1098271

> <CHEMIDPLUS>
110-80-5

> <DRUGBANK_ACCESSION>
DB02249

> <KEGG_COMPOUND_ACCESSION>
C14687

> <NIST_CHEMISTRY_WEBBOOK>
110-80-5

> <PDBECHEM_ACCESSION>
ETX

> <WIKIPEDIA_ACCESSION>
2-Ethoxyethanol

> <PUBMED_CITATION>
12209180; 24399739; 2625497; 7151721

$$$$