2,2,6-Trimethyl-4H-1,3-dioxin-4-one

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H10O3
Molecular Weight	142.1525
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2,6-Trimethyl-4H-1,3-dioxin-4-one

Structure Search

SMILES

CC1=CC(=O)OC(C)(C)O1

InChI

InChIKey=XFRBXZCBOYNMJP-UHFFFAOYSA-N

InChI=1S/C7H10O3/c1-5-4-6(8)10-7(2,3)9-5/h4H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C7H10O3
Molecular Weight	142.1525
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 20:31:22 GMT 2025` Edited by `admin` on `Wed Apr 02 20:31:22 GMT 2025`
Record UNII	PET49NW99A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-2391

Preferred Name

English

2,2,6-Trimethyl-4H-1,3-dioxin-4-one

Systematic Name

English

4H-1,3-Dioxin-4-one, 2,2,6-trimethyl-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

226-403-3

Created by admin on Wed Apr 02 20:31:22 GMT 2025 , Edited by admin on Wed Apr 02 20:31:22 GMT 2025

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NSC

2391

Created by admin on Wed Apr 02 20:31:22 GMT 2025 , Edited by admin on Wed Apr 02 20:31:22 GMT 2025

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FDA UNII

PET49NW99A

Created by admin on Wed Apr 02 20:31:22 GMT 2025 , Edited by admin on Wed Apr 02 20:31:22 GMT 2025

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PUBCHEM

79368

Created by admin on Wed Apr 02 20:31:22 GMT 2025 , Edited by admin on Wed Apr 02 20:31:22 GMT 2025

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CAS

5394-63-8

Created by admin on Wed Apr 02 20:31:22 GMT 2025 , Edited by admin on Wed Apr 02 20:31:22 GMT 2025

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EPA CompTox

DTXSID10202230

Created by admin on Wed Apr 02 20:31:22 GMT 2025 , Edited by admin on Wed Apr 02 20:31:22 GMT 2025

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