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Details

Stereochemistry MIXED
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTANAL PROPYLENEGLYCOL ACETAL

SMILES

CCCCCCCC1OCC(C)O1

InChI

InChIKey=PTJICCHLTNPHDB-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-11-12-9-10(2)13-11/h10-11H,3-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H22O2
Molecular Weight 186.2912
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 Sat Dec 16 01:39:12 GMT 2023
Edited
by admin
on Sat Dec 16 01:39:12 GMT 2023
Record UNII
M8I6861388
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTANAL PROPYLENEGLYCOL ACETAL
FHFI  
Common Name English
1,3-DIOXOLANE, 2-HEPTYL-4-METHYL-
Systematic Name English
FEMA NO. 4383
Code English
(±)-OCTANAL PROPYLENEGLYCOL ACETAL
Common Name English
2-HEPTYL-4-METHYL-1,3-DIOXOLANE
Systematic Name English
OCTANAL PROPYLENE GLYCOL ACETAL
Common Name English
OCTANAL PROPYLENEGLYCOL ACETAL [FHFI]
Common Name English
OCTANAL PROPYLENEGLYCOL ACETAL, (±)-
Common Name English
Classification Tree Code System Code
JECFA EVALUATION OCTANAL PROPYLENEGLYCOL ACETAL
Created by admin on Sat Dec 16 01:39:12 GMT 2023 , Edited by admin on Sat Dec 16 01:39:12 GMT 2023
Code System Code Type Description
CAS
74094-61-4
Created by admin on Sat Dec 16 01:39:12 GMT 2023 , Edited by admin on Sat Dec 16 01:39:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID80868281
Created by admin on Sat Dec 16 01:39:12 GMT 2023 , Edited by admin on Sat Dec 16 01:39:12 GMT 2023
PRIMARY
JECFA MONOGRAPH
1719
Created by admin on Sat Dec 16 01:39:12 GMT 2023 , Edited by admin on Sat Dec 16 01:39:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
277-712-5
Created by admin on Sat Dec 16 01:39:12 GMT 2023 , Edited by admin on Sat Dec 16 01:39:12 GMT 2023
PRIMARY
PUBCHEM
560109
Created by admin on Sat Dec 16 01:39:12 GMT 2023 , Edited by admin on Sat Dec 16 01:39:12 GMT 2023
PRIMARY
FDA UNII
M8I6861388
Created by admin on Sat Dec 16 01:39:12 GMT 2023 , Edited by admin on Sat Dec 16 01:39:12 GMT 2023
PRIMARY