AG003F8W

5394-63-8 | 2,2,6-TRIMETHYL-4H-1,3-DIOXIN-4-ONE

AG003F8W

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CAS Number	5394-63-8
Catalog Number	AG003F8W(AGN-PC-0JLRYK)
Chemical Name	2,2,6-TRIMETHYL-4H-1,3-DIOXIN-4-ONE
EC Number	226-403-3
IUPAC Name	2,2,6-trimethyl-1,3-dioxin-4-one
InChI	InChI=1S/C7H10O3/c1-5-4-6(8)10-7(2,3)9-5/h4H,1-3H3
InChI Key	XFRBXZCBOYNMJP-UHFFFAOYSA-N
MDL Number	MFCD00040468
Molecular Formula	C7H10O3
Molecular Weight	142.1525
NSC Number	2391
SMILES	CC1(OC(=CC(O1)=O)C)C
Synonyms	2,2,6-Trimethyl-4H-1,3-dioxin-4-one, 5394-63-8, 2,2,6-Trimethyl-1,3-dioxin-4-one, Diketene acetone adduct, 2,2,4-Trimethyl-6-keto-1,3-dioxin, 4H-1,3-Dioxin-4-one, 2,2,6-trimethyl-, XFRBXZCBOYNMJP-UHFFFAOYSA-N, MFCD00040468, 2,2,6-Trimethyl-1,3-dioxen-4-one, 2,2,6-trimethyl-1,3-dioxine-4-one, 2,2,6-trimethyl-[1,3]dioxin-4-one, 2,2,6-trimethyl-2,4-dihydro-1,3-dioxin-4-one, 2,2,6-Trimethyl-4H-1,3-dioxin-4-one, 90-95%, NSC2391, EINECS 226-403-3, PubChem20364, 2,2,6-trimethyl-4h-1,3-dioxin-4-on, ACMC-1AKCB, AC1Q6AVJ, EC 226-403-3, AC1L2X8P, KSC490C9H, SCHEMBL218538, CTK3J0193, DTXSID10202230, ZINC391991, BCP28867, NSC-2391, ANW-31889, AKOS000120979, TRA0036154, 2,2,4-Trimethyl-6-keto-1,3-dioxine, KS-0000053E, 2,2,6-trimethyl-[1,3] dioxin-4-one, AJ-21199, AK-35558, CJ-03563, SC-52316, ZB012166, 2,2,6-trimethyl4H-1, 3-dioxin-4-one, 2,2,6-trimethyl-4H-1,3-dioxine-4-one, 2,2-dimethyl-6-methyl-1,3-dioxin-4-one, AB0109641, DB-052435, RT-004293, TL8003538, FT-0609133, ST24038415, ST50823778, Z3523, 2,4-TRIMETHYL-1,3-DIOX-4-ENE-6-ONE, 2,2,6-Trimethyl-4H-1,3-dioxin-4-one, 95%, I14-1736, F0001-1405, 2,2,6-Trimethyl-4H-1,3-dioxin-4-one, Lonza quality, >=93.0% (GC), C7H10O3, CID79368, AR-1D0767, C7-H10-O3, T1099, 2,2,6-Trimethyl-4H-1,3-dioxin-4-one, 94%, contains up to 6% acetone 25g, 55234-12-3,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.063g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.154g/mol
Monoisotopic Mass	142.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number