U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C14H26O2
Molecular Weight 226.355
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RHODINYL BUTYRATE, (±)-

SMILES

CCCC(=O)OCCC(C)CCCC(C)=C

InChI

InChIKey=PYGYQOOIXMJQOJ-UHFFFAOYSA-N
InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h13H,2,5-11H2,1,3-4H3

HIDE SMILES / InChI

Molecular Formula C14H26O2
Molecular Weight 226.355
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:41:27 GMT 2025
Edited
by admin
on Tue Apr 01 17:41:27 GMT 2025
Record UNII
6JNM5LMT58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RHODINYL BUTYRATE, (±)-
Common Name English
2,6-DIMETHYL-1-OCTEN-8-YL BUTYRATE
Preferred Name English
BUTYRIC ACID, 3,7-DIMETHYL-7-OCTENYL ESTER
Systematic Name English
BUTANOIC ACID, 3,7-DIMETHYL-7-OCTENYL ESTER
Systematic Name English
7-OCTEN-1-OL, 3,7-DIMETHYL-, BUTYRATE
Systematic Name English
BUTANOIC ACID, 3,7-DIMETHYL-7-OCTEN-1-YL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
6JNM5LMT58
Created by admin on Tue Apr 01 17:41:27 GMT 2025 , Edited by admin on Tue Apr 01 17:41:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
205-462-9
Created by admin on Tue Apr 01 17:41:27 GMT 2025 , Edited by admin on Tue Apr 01 17:41:27 GMT 2025
PRIMARY
PUBCHEM
61093
Created by admin on Tue Apr 01 17:41:27 GMT 2025 , Edited by admin on Tue Apr 01 17:41:27 GMT 2025
PRIMARY
CAS
141-15-1
Created by admin on Tue Apr 01 17:41:27 GMT 2025 , Edited by admin on Tue Apr 01 17:41:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID60861811
Created by admin on Tue Apr 01 17:41:27 GMT 2025 , Edited by admin on Tue Apr 01 17:41:27 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE