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 3-(HYDROXYMETHYL)-2-NONANONE

SMILES

CCCCCCC(CO)C(C)=O

InChI

InChIKey=DIZUHEORFPDTIQ-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-3-4-5-6-7-10(8-11)9(2)12/h10-11H,3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
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 Sat Dec 16 11:44:56 GMT 2023
Edited
by admin
on Sat Dec 16 11:44:56 GMT 2023
Record UNII
4QZ8NDH82S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(HYDROXYMETHYL)-2-NONANONE
Systematic Name English
2-ACETYL-1-OCTANOL
Systematic Name English
METHYL LAVENDER KETONE
Common Name English
2-NONANONE, 3-(HYDROXYMETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
106823
Created by admin on Sat Dec 16 11:44:56 GMT 2023 , Edited by admin on Sat Dec 16 11:44:56 GMT 2023
PRIMARY
CAS
67801-33-6
Created by admin on Sat Dec 16 11:44:56 GMT 2023 , Edited by admin on Sat Dec 16 11:44:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID50867342
Created by admin on Sat Dec 16 11:44:56 GMT 2023 , Edited by admin on Sat Dec 16 11:44:56 GMT 2023
PRIMARY
ECHA (EC/EINECS)
267-154-0
Created by admin on Sat Dec 16 11:44:56 GMT 2023 , Edited by admin on Sat Dec 16 11:44:56 GMT 2023
PRIMARY
FDA UNII
4QZ8NDH82S
Created by admin on Sat Dec 16 11:44:56 GMT 2023 , Edited by admin on Sat Dec 16 11:44:56 GMT 2023
PRIMARY