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

Details

Stereochemistry RACEMIC
Molecular Formula C10H16O
Molecular Weight 152.2334
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHELLANDRAL

SMILES

CC(C)C1CCC(C=O)=CC1

InChI

InChIKey=AEVLWICMAHGAMS-UHFFFAOYSA-N
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H16O
Molecular Weight 152.2334
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 09:44:40 GMT 2023
Edited
by admin
on Sat Dec 16 09:44:40 GMT 2023
Record UNII
O55U5SW7ZR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHELLANDRAL
Common Name English
1-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-(1-METHYLETHYL)-
Systematic Name English
P-MENTH-1-EN-7-AL
Systematic Name English
4-(1-METHYLETHYL)-1-CYCLOHEXENE-1-CARBOXALDEHYDE
Systematic Name English
4-PROPAN-2-YLCYCLOHEXENE-1-CARBOXALDEHYDE
Systematic Name English
Code System Code Type Description
PUBCHEM
89488
Created by admin on Sat Dec 16 09:44:40 GMT 2023 , Edited by admin on Sat Dec 16 09:44:40 GMT 2023
PRIMARY
FDA UNII
O55U5SW7ZR
Created by admin on Sat Dec 16 09:44:40 GMT 2023 , Edited by admin on Sat Dec 16 09:44:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-355-1
Created by admin on Sat Dec 16 09:44:40 GMT 2023 , Edited by admin on Sat Dec 16 09:44:40 GMT 2023
PRIMARY
CAS
21391-98-0
Created by admin on Sat Dec 16 09:44:40 GMT 2023 , Edited by admin on Sat Dec 16 09:44:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID50871323
Created by admin on Sat Dec 16 09:44:40 GMT 2023 , Edited by admin on Sat Dec 16 09:44:40 GMT 2023
PRIMARY