U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O2
Molecular Weight 194.2701
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLACETALDEHYDE DIETHYL ACETAL

SMILES

CCOC(CC1=CC=CC=C1)OCC

InChI

InChIKey=FYERTDTXGGOMGT-UHFFFAOYSA-N
InChI=1S/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H18O2
Molecular Weight 194.2701
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:34:55 GMT 2025
Edited
by admin
on Mon Mar 31 20:34:55 GMT 2025
Record UNII
YUF33E133Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENYLACETALDEHYDE DIETHYL ACETAL
Systematic Name English
FEMA NO. 4625
Preferred Name English
ACETALDEHYDE, PHENYL-, DIETHYL ACETAL
Common Name English
BENZENE, (2,2-DIETHOXYETHYL)-
Systematic Name English
NSC-20031
Code English
1,1-DIETHOXY-2-PHENYLETHANE
Systematic Name English
(2,2-DIETHOXYETHYL)BENZENE
Systematic Name English
PHENYLETHANAL DIETHYL ACETAL
Systematic Name English
BENZENEACETALDEHYDE, DIETHYL ACETAL
Common Name English
Code System Code Type Description
NSC
20031
Created by admin on Mon Mar 31 20:34:56 GMT 2025 , Edited by admin on Mon Mar 31 20:34:56 GMT 2025
PRIMARY
FDA UNII
YUF33E133Y
Created by admin on Mon Mar 31 20:34:55 GMT 2025 , Edited by admin on Mon Mar 31 20:34:55 GMT 2025
PRIMARY
CAS
6314-97-2
Created by admin on Mon Mar 31 20:34:55 GMT 2025 , Edited by admin on Mon Mar 31 20:34:55 GMT 2025
PRIMARY
PUBCHEM
80584
Created by admin on Mon Mar 31 20:34:55 GMT 2025 , Edited by admin on Mon Mar 31 20:34:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID2052314
Created by admin on Mon Mar 31 20:34:55 GMT 2025 , Edited by admin on Mon Mar 31 20:34:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
228-642-9
Created by admin on Mon Mar 31 20:34:55 GMT 2025 , Edited by admin on Mon Mar 31 20:34:55 GMT 2025
PRIMARY