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

Details

Stereochemistry RACEMIC
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-METHYL-2-HEPTYL ACETATE

SMILES

CC(C)CCCC(C)OC(C)=O

InChI

InChIKey=JNRDWRMJYGDQQE-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-8(2)6-5-7-9(3)12-10(4)11/h8-9H,5-7H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
6-METHYL-2-HEPTYL ACETATE
Systematic Name English
2-HEPTANOL, 6-METHYL-, ACETATE
Common Name English
2-HEPTANOL, 6-METHYL-, 2-ACETATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
267-911-5
Created by admin on Sat Dec 16 09:15:12 GMT 2023 , Edited by admin on Sat Dec 16 09:15:12 GMT 2023
PRIMARY
FDA UNII
L99R8F7K2A
Created by admin on Sat Dec 16 09:15:12 GMT 2023 , Edited by admin on Sat Dec 16 09:15:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID00867413
Created by admin on Sat Dec 16 09:15:12 GMT 2023 , Edited by admin on Sat Dec 16 09:15:12 GMT 2023
PRIMARY
PUBCHEM
50006
Created by admin on Sat Dec 16 09:15:12 GMT 2023 , Edited by admin on Sat Dec 16 09:15:12 GMT 2023
PRIMARY
CAS
67952-57-2
Created by admin on Sat Dec 16 09:15:12 GMT 2023 , Edited by admin on Sat Dec 16 09:15:12 GMT 2023
PRIMARY