Ketcher 03092114422D 1   1.00000     0.00000     0

 23 22  0     0  0            999 V2000
    6.7900  -12.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6560  -11.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5220  -12.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3880  -11.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2541  -12.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1201  -11.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9862  -12.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8522  -11.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7182  -12.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5842  -11.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4502  -12.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3163  -11.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1823  -12.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0483  -11.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9144  -12.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7804  -11.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6464  -12.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5124  -11.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3785  -12.2318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2445  -11.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1105  -12.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9765  -11.7318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5124  -10.7318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  0     0  0
  1  2  1  0     0  0
 12 13  1  0     0  0
  6  7  1  0     0  0
 13 14  1  0     0  0
  3  4  1  0     0  0
 14 15  1  0     0  0
  7  8  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
  8  9  1  0     0  0
 17 18  1  0     0  0
  4  5  1  0     0  0
 18 19  1  0     0  0
  9 10  1  0     0  0
 19 20  1  0     0  0
  2  3  1  0     0  0
 20 21  1  0     0  0
 10 11  1  0     0  0
 21 22  1  0     0  0
  5  6  1  0     0  0
 18 23  2  0     0  0
M  END
> <ID>
CHEBI:167626

> <NAME>
2-hydroxyethyl octadecanoate

> <DEFINITION>
An octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and one of the hydroxy groups of ethylene glycol. It is an ingredient in many personal care products and cosmetics.

> <STAR>
3

> <SYNONYM>
USAF KE-11; stearic acid, monoester with ethylene glycol; octadecanoic acid, 2-hydroxyethyl ester; octadecanoic acid 2-hydroxyethyl ester; glycol stearate; glycol monostearate; ethylene glycol stearate; ethylene glycol monostearate; 2-hydroxyethyl stearate

> <IUPAC_NAME>
2-hydroxyethyl octadecanoate

> <BRAND_NAME>
Sedetol; S 151; Prodhybase ethyl; Prodhybas N; Parastarin; Monthyle; Monthybase; Lipo EGMS; Ivorit; Empilan 2848; Emerest 2350; Clindrol SEG

> <FORMULA>
C20H40O3

> <MASS>
328.537

> <MONOISOTOPIC_MASS>
328.29775

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCC(=O)OCCO

> <INCHI>
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3

> <INCHIKEY>
RFVNOJDQRGSOEL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
111-60-4

> <REAXYS_REGISTRY_NUMBER>
1794033

> <CHEMIDPLUS>
111-60-4

> <NIST_CHEMISTRY_WEBBOOK>
111-60-4

> <WIKIPEDIA_ACCESSION>
Glycol_stearate

> <PUBMED_CITATION>
32353654; 32499766

$$$$