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

Details

Stereochemistry RACEMIC
Molecular Formula C8H14O4
Molecular Weight 174.1944
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BUTANEDIOL DIACETATE

SMILES

CC(CCOC(C)=O)OC(C)=O

InChI

InChIKey=MPAGVACEWQNVQO-UHFFFAOYSA-N
InChI=1S/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1,3-BUTANEDIOL DIACETATE
Systematic Name English
1,3-BUTANEDIOL, 1,3-DIACETATE
Systematic Name English
1,3-BUTYLENE DIACETATE
Systematic Name English
BUTANE-1,3-DIOL DIACETATE
Systematic Name English
1,3-BUTANEDIOL DIACETATE, (±)-
Systematic Name English
(±)-1,3-DIACETOXYBUTANE
Systematic Name English
1,3-BGDA
Common Name English
NSC-67338
Code English
1,3-BUTYLENE GLYCOL DIACETATE
Systematic Name English
J110.690B
Code English
1,3-BUTANEDIYL DIACETATE
Systematic Name English
Code System Code Type Description
PUBCHEM
79140
Created by admin on Sat Dec 16 09:04:06 GMT 2023 , Edited by admin on Sat Dec 16 09:04:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID00862549
Created by admin on Sat Dec 16 09:04:06 GMT 2023 , Edited by admin on Sat Dec 16 09:04:06 GMT 2023
PRIMARY
CAS
1117-31-3
Created by admin on Sat Dec 16 09:04:06 GMT 2023 , Edited by admin on Sat Dec 16 09:04:06 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-244-2
Created by admin on Sat Dec 16 09:04:06 GMT 2023 , Edited by admin on Sat Dec 16 09:04:06 GMT 2023
PRIMARY
NSC
67338
Created by admin on Sat Dec 16 09:04:06 GMT 2023 , Edited by admin on Sat Dec 16 09:04:06 GMT 2023
PRIMARY
FDA UNII
5847L0XU44
Created by admin on Sat Dec 16 09:04:06 GMT 2023 , Edited by admin on Sat Dec 16 09:04:06 GMT 2023
PRIMARY