U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H27OP
Molecular Weight 218.3159
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tri-tert-butylphosphine oxide

SMILES

CC(C)(C)P(=O)(C(C)(C)C)C(C)(C)C

InChI

InChIKey=HDZUKJFHNQLAMW-UHFFFAOYSA-N
InChI=1S/C12H27OP/c1-10(2,3)14(13,11(4,5)6)12(7,8)9/h1-9H3

HIDE SMILES / InChI

Molecular Formula C12H27OP
Molecular Weight 218.3159
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 Wed Apr 02 19:18:16 GMT 2025
Edited
by admin
on Wed Apr 02 19:18:16 GMT 2025
Record UNII
BQ2EFT9SWM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phosphine oxide, tris(1,1-dimethylethyl)-
Preferred Name English
Tri-tert-butylphosphine oxide
Systematic Name English
Tris(1,1-dimethylethyl)phosphine oxide
Systematic Name English
Code System Code Type Description
PUBCHEM
10927323
Created by admin on Wed Apr 02 19:18:16 GMT 2025 , Edited by admin on Wed Apr 02 19:18:16 GMT 2025
PRIMARY
CAS
6866-70-2
Created by admin on Wed Apr 02 19:18:16 GMT 2025 , Edited by admin on Wed Apr 02 19:18:16 GMT 2025
PRIMARY
FDA UNII
BQ2EFT9SWM
Created by admin on Wed Apr 02 19:18:16 GMT 2025 , Edited by admin on Wed Apr 02 19:18:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID10448616
Created by admin on Wed Apr 02 19:18:16 GMT 2025 , Edited by admin on Wed Apr 02 19:18:16 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY