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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O
Molecular Weight 126.1962
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYL-3-PROPYLACROLEIN

SMILES

CCC\C=C(/CC)C=O

InChI

InChIKey=PYLMCYQHBRSDND-SOFGYWHQSA-N
InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+

HIDE SMILES / InChI

Molecular Formula C8H14O
Molecular Weight 126.1962
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:42:23 GMT 2023
Edited
by admin
on Fri Dec 15 16:42:23 GMT 2023
Record UNII
69YL9T443B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYL-3-PROPYLACROLEIN
Systematic Name English
2-HEXENAL, 2-ETHYL-, (E)-
Systematic Name English
ETHYL-2-HEXENAL
Systematic Name English
(E)-2-ETHYL-2-HEXENAL
Systematic Name English
2-ETHYL-2-HEXENAL
Systematic Name English
TRANS-2-ETHYL-2-HEXENAL
Common Name English
2-ETHYL-2-HEXENAL, (2E)-
Systematic Name English
(2E)-2-ETHYL-2-HEXENAL
Systematic Name English
NSC-4787
Code English
FEMA NO. 4612
Code English
2-HEXENAL, 2-ETHYL-, (2E)-
Systematic Name English
.ALPHA.-ETHYL-.BETA.-PROPYLACROLEIN
Systematic Name English
2-HEXENAL, 2-ETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
211-448-3
Created by admin on Fri Dec 15 16:42:23 GMT 2023 , Edited by admin on Fri Dec 15 16:42:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID4025296
Created by admin on Fri Dec 15 16:42:23 GMT 2023 , Edited by admin on Fri Dec 15 16:42:23 GMT 2023
PRIMARY
CAS
645-62-5
Created by admin on Fri Dec 15 16:42:23 GMT 2023 , Edited by admin on Fri Dec 15 16:42:23 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
NSC
4787
Created by admin on Fri Dec 15 16:42:23 GMT 2023 , Edited by admin on Fri Dec 15 16:42:23 GMT 2023
PRIMARY
HSDB
645-62-5
Created by admin on Fri Dec 15 16:42:23 GMT 2023 , Edited by admin on Fri Dec 15 16:42:23 GMT 2023
PRIMARY
CAS
64344-45-2
Created by admin on Fri Dec 15 16:42:23 GMT 2023 , Edited by admin on Fri Dec 15 16:42:23 GMT 2023
PRIMARY
FDA UNII
69YL9T443B
Created by admin on Fri Dec 15 16:42:23 GMT 2023 , Edited by admin on Fri Dec 15 16:42:23 GMT 2023
PRIMARY
PUBCHEM
5354264
Created by admin on Fri Dec 15 16:42:23 GMT 2023 , Edited by admin on Fri Dec 15 16:42:23 GMT 2023
PRIMARY