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Details

Stereochemistry ACHIRAL
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Butyl 3,3-dimethylbutyrate

SMILES

CCCCOC(=O)CC(C)(C)C

InChI

InChIKey=GXSOWLLSDPRKOM-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-5-6-7-12-9(11)8-10(2,3)4/h5-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
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 Tue Apr 01 19:26:08 GMT 2025
Edited
by admin
on Tue Apr 01 19:26:08 GMT 2025
Record UNII
3DMS868ENH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butyl 3,3-dimethylbutyrate
Systematic Name English
Butanoic acid, 3,3-dimethyl-, butyl ester
Preferred Name English
Butyl 3,3-dimethylbutanoate
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
286-321-9
Created by admin on Tue Apr 01 19:26:08 GMT 2025 , Edited by admin on Tue Apr 01 19:26:08 GMT 2025
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PUBCHEM
3020536
Created by admin on Tue Apr 01 19:26:08 GMT 2025 , Edited by admin on Tue Apr 01 19:26:08 GMT 2025
PRIMARY
CAS
85204-26-8
Created by admin on Tue Apr 01 19:26:08 GMT 2025 , Edited by admin on Tue Apr 01 19:26:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID40234403
Created by admin on Tue Apr 01 19:26:08 GMT 2025 , Edited by admin on Tue Apr 01 19:26:08 GMT 2025
PRIMARY
FDA UNII
3DMS868ENH
Created by admin on Tue Apr 01 19:26:08 GMT 2025 , Edited by admin on Tue Apr 01 19:26:08 GMT 2025
PRIMARY