tert-Butyl hydrogen carbonate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H10O3
Molecular Weight	118.1311
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl hydrogen carbonate

Structure Search

SMILES

CC(C)(C)OC(O)=O

InChI

InChIKey=XKXIQBVKMABYQJ-UHFFFAOYSA-N

InChI=1S/C5H10O3/c1-5(2,3)8-4(6)7/h1-3H3,(H,6,7)

HIDE SMILES / InChI

Molecular Formula	C5H10O3
Molecular Weight	118.1311
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 19:10:46 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:46 GMT 2025`
Record UNII	B33A27KP3C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

tert-Butyl hydrogen carbonate

Systematic Name

English

Carbonic acid, mono(1,1-dimethylethyl) ester

Preferred Name

English

Mono-tert-butyl carbonate

Systematic Name

English

Code System Code Type Description

PUBCHEM

3015642

Created by admin on Tue Apr 01 19:10:46 GMT 2025 , Edited by admin on Tue Apr 01 19:10:46 GMT 2025

PRIMARY

ECHA (EC/EINECS)

257-120-3

Created by admin on Tue Apr 01 19:10:46 GMT 2025 , Edited by admin on Tue Apr 01 19:10:46 GMT 2025

PRIMARY

EPA CompTox

DTXSID40199301

Created by admin on Tue Apr 01 19:10:46 GMT 2025 , Edited by admin on Tue Apr 01 19:10:46 GMT 2025

PRIMARY

CAS

51300-90-4

Created by admin on Tue Apr 01 19:10:46 GMT 2025 , Edited by admin on Tue Apr 01 19:10:46 GMT 2025

PRIMARY

FDA UNII

B33A27KP3C

Created by admin on Tue Apr 01 19:10:46 GMT 2025 , Edited by admin on Tue Apr 01 19:10:46 GMT 2025

PRIMARY

Related Record Type Details


					2G934ZRE79

Potassium tert-butyl carbonate

SALT/SOLVATE -> PARENT

Amount: