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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-METHYLHEPTYL ACETATE

SMILES

CC(C)CCCCCOC(C)=O

InChI

InChIKey=DICUPLXUNISGAQ-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-9(2)7-5-4-6-8-12-10(3)11/h9H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
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 Sat Dec 16 13:25:12 GMT 2023
Edited
by admin
on Sat Dec 16 13:25:12 GMT 2023
Record UNII
9Y25SYG8D5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-METHYLHEPTYL ACETATE
Systematic Name English
ACETIC ACID, ISOOCTYL ESTER
Common Name English
1-HEPTANOL, 6-METHYL-, 1-ACETATE
Systematic Name English
Code System Code Type Description
CAS
36097-34-4
Created by admin on Sat Dec 16 13:25:12 GMT 2023 , Edited by admin on Sat Dec 16 13:25:12 GMT 2023
PRIMARY
CAS
31565-19-2
Created by admin on Sat Dec 16 13:25:12 GMT 2023 , Edited by admin on Sat Dec 16 13:25:12 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID5067635
Created by admin on Sat Dec 16 13:25:12 GMT 2023 , Edited by admin on Sat Dec 16 13:25:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
250-701-2
Created by admin on Sat Dec 16 13:25:12 GMT 2023 , Edited by admin on Sat Dec 16 13:25:12 GMT 2023
PRIMARY
PUBCHEM
169321
Created by admin on Sat Dec 16 13:25:12 GMT 2023 , Edited by admin on Sat Dec 16 13:25:12 GMT 2023
PRIMARY
FDA UNII
9Y25SYG8D5
Created by admin on Sat Dec 16 13:25:12 GMT 2023 , Edited by admin on Sat Dec 16 13:25:12 GMT 2023
PRIMARY