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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O3
Molecular Weight 132.1577
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Hydroxybutyl acetate

SMILES

CC(=O)OCCCCO

InChI

InChIKey=FLVQOAUAIBIIGO-UHFFFAOYSA-N
InChI=1S/C6H12O3/c1-6(8)9-5-3-2-4-7/h7H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H12O3
Molecular Weight 132.1577
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 Tue Apr 01 18:24:51 GMT 2025
Edited
by admin
on Tue Apr 01 18:24:51 GMT 2025
Record UNII
RKJ8TM2B2W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-Butanediol monoacetate
Preferred Name English
4-Hydroxybutyl acetate
Common Name English
1,4-Butanediol, 1-acetate
Systematic Name English
1,4-Butanediol, monoacetate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90784665
Created by admin on Tue Apr 01 18:24:51 GMT 2025 , Edited by admin on Tue Apr 01 18:24:51 GMT 2025
PRIMARY
FDA UNII
RKJ8TM2B2W
Created by admin on Tue Apr 01 18:24:51 GMT 2025 , Edited by admin on Tue Apr 01 18:24:51 GMT 2025
PRIMARY
PUBCHEM
10103209
Created by admin on Tue Apr 01 18:24:51 GMT 2025 , Edited by admin on Tue Apr 01 18:24:51 GMT 2025
PRIMARY
CAS
35435-68-8
Created by admin on Tue Apr 01 18:24:51 GMT 2025 , Edited by admin on Tue Apr 01 18:24:51 GMT 2025
PRIMARY