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Details

Stereochemistry MIXED
Molecular Formula C10H20O3
Molecular Weight 188.264
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTANAL 1,2-GLYCERYL ACETAL

SMILES

CCCCCCC1OCC(CO)O1

InChI

InChIKey=TYRXGKKCQUIWGI-UHFFFAOYSA-N
InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-11H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H20O3
Molecular Weight 188.264
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:03:38 GMT 2023
Edited
by admin
on Fri Dec 15 18:03:38 GMT 2023
Record UNII
63ZBP77DDC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTANAL 1,2-GLYCERYL ACETAL
Common Name English
1,3-DIOXOLANE-4-METHANOL, 2-HEXYL-
Systematic Name English
2-HEXYL-1,3-DIOXOLANE-4-METHANOL
Systematic Name English
HEPTANAL CYCLIC (HYDROXYMETHYL)ETHYLENE ACETAL
Common Name English
FEMA NO. 2542, 1,2 ACETAL-
Code English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:03:38 GMT 2023 , Edited by admin on Fri Dec 15 18:03:38 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID10862737
Created by admin on Fri Dec 15 18:03:38 GMT 2023 , Edited by admin on Fri Dec 15 18:03:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-960-0
Created by admin on Fri Dec 15 18:03:38 GMT 2023 , Edited by admin on Fri Dec 15 18:03:38 GMT 2023
PRIMARY
CAS
1708-35-6
Created by admin on Fri Dec 15 18:03:38 GMT 2023 , Edited by admin on Fri Dec 15 18:03:38 GMT 2023
PRIMARY
FDA UNII
63ZBP77DDC
Created by admin on Fri Dec 15 18:03:38 GMT 2023 , Edited by admin on Fri Dec 15 18:03:38 GMT 2023
PRIMARY
PUBCHEM
15571
Created by admin on Fri Dec 15 18:03:38 GMT 2023 , Edited by admin on Fri Dec 15 18:03:38 GMT 2023
PRIMARY