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Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALERALDEHYDE PROPYLENEGLYCOL ACETAL, TRANS-

SMILES

CCCC[C@@H]1OC[C@@H](C)O1

InChI

InChIKey=WTZJUXYVLRJTMQ-HTQZYQBOSA-N
InChI=1S/C8H16O2/c1-3-4-5-8-9-6-7(2)10-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H16O2
Molecular Weight 144.2114
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:09:40 GMT 2023
Edited
by admin
on Sat Dec 16 00:09:40 GMT 2023
Record UNII
JDI06L4Q21
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALERALDEHYDE PROPYLENEGLYCOL ACETAL, TRANS-
Common Name English
1,3-DIOXOLANE, 2-BUTYL-4-METHYL-, TRANS-
Systematic Name English
(2R,4R)-2-BUTYL-4-METHYL-1,3-DIOXOLANE
Systematic Name English
(±)- VALERALDEHYDE PROPYLENEGLYCOL ACETAL, TRANS-
Common Name English
FEMA NO. 4372, TRANS-
Code English
Code System Code Type Description
FDA UNII
JDI06L4Q21
Created by admin on Sat Dec 16 00:09:40 GMT 2023 , Edited by admin on Sat Dec 16 00:09:40 GMT 2023
PRIMARY
CAS
26551-19-9
Created by admin on Sat Dec 16 00:09:40 GMT 2023 , Edited by admin on Sat Dec 16 00:09:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID80181129
Created by admin on Sat Dec 16 00:09:40 GMT 2023 , Edited by admin on Sat Dec 16 00:09:40 GMT 2023
PRIMARY
PUBCHEM
71587084
Created by admin on Sat Dec 16 00:09:40 GMT 2023 , Edited by admin on Sat Dec 16 00:09:40 GMT 2023
PRIMARY