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Details

Stereochemistry MIXED
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXANAL BUTANE-2,3-DIOL ACETAL

SMILES

CCCCCC1OC(C)C(C)O1

InChI

InChIKey=CMOJDAJROWMHLQ-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-4-5-6-7-10-11-8(2)9(3)12-10/h8-10H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
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 19:29:42 GMT 2023
Edited
by admin
on Fri Dec 15 19:29:42 GMT 2023
Record UNII
3X15X3C17Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXANAL BUTANE-2,3-DIOL ACETAL
FHFI  
Common Name English
HEXANAL BUTANE-2,3-DIOL ACETAL [FHFI]
Common Name English
FEMA NO. 4384
Code English
HEXANAL 2,3-BUTYLENE GLYCOL ACETAL
Common Name English
1,3-DIOXOLANE, 4,5-DIMETHYL-2-PENTYL-
Systematic Name English
4,5-DIMETHYL-2-PENTYL-1,3-DIOXOLANE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION HEXANAL BUTANE-2,3-DIOL ACETAL
Created by admin on Fri Dec 15 19:29:42 GMT 2023 , Edited by admin on Fri Dec 15 19:29:42 GMT 2023
Code System Code Type Description
PUBCHEM
11084346
Created by admin on Fri Dec 15 19:29:42 GMT 2023 , Edited by admin on Fri Dec 15 19:29:42 GMT 2023
PRIMARY
CAS
155639-75-1
Created by admin on Fri Dec 15 19:29:42 GMT 2023 , Edited by admin on Fri Dec 15 19:29:42 GMT 2023
PRIMARY
FDA UNII
3X15X3C17Q
Created by admin on Fri Dec 15 19:29:42 GMT 2023 , Edited by admin on Fri Dec 15 19:29:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID50935257
Created by admin on Fri Dec 15 19:29:42 GMT 2023 , Edited by admin on Fri Dec 15 19:29:42 GMT 2023
PRIMARY
JECFA MONOGRAPH
1715
Created by admin on Fri Dec 15 19:29:42 GMT 2023 , Edited by admin on Fri Dec 15 19:29:42 GMT 2023
PRIMARY