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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O
Molecular Weight 148.2017
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Xylylacetaldehyde

SMILES

CC1=CC=C(CC=O)C=C1C

InChI

InChIKey=ZEDGDXNOJMGMMM-UHFFFAOYSA-N
InChI=1S/C10H12O/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,6-7H,5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H12O
Molecular Weight 148.2017
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 12:25:29 GMT 2023
Edited
by admin
on Sat Dec 16 12:25:29 GMT 2023
Record UNII
AMT73VE86M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-Xylylacetaldehyde
Common Name English
3,4-Dimethylbenzene-acetaldehyde
Systematic Name English
Benzeneacetaldehyde, 3,4-dimethyl-
Systematic Name English
3,4-Dimethylbenzeneacetaldehyde
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
272-445-0
Created by admin on Sat Dec 16 12:25:29 GMT 2023 , Edited by admin on Sat Dec 16 12:25:29 GMT 2023
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EPA CompTox
DTXSID0052673
Created by admin on Sat Dec 16 12:25:29 GMT 2023 , Edited by admin on Sat Dec 16 12:25:29 GMT 2023
PRIMARY
CAS
68844-97-3
Created by admin on Sat Dec 16 12:25:29 GMT 2023 , Edited by admin on Sat Dec 16 12:25:29 GMT 2023
PRIMARY
PUBCHEM
111648
Created by admin on Sat Dec 16 12:25:29 GMT 2023 , Edited by admin on Sat Dec 16 12:25:29 GMT 2023
PRIMARY
FDA UNII
AMT73VE86M
Created by admin on Sat Dec 16 12:25:29 GMT 2023 , Edited by admin on Sat Dec 16 12:25:29 GMT 2023
PRIMARY