AG003TKZ

597-71-7 | Pentaerythritol Tetraacetate

AG003TKZ

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CAS Number	597-71-7
Catalog Number	AG003TKZ(AGN-PC-0OCZCT)
Chemical Name	Pentaerythritol Tetraacetate
EC Number	209-907-8
IUPAC Name	[3-acetyloxy-2,2-bis(acetyloxymethyl)propyl] acetate
InChI	InChI=1S/C13H20O8/c1-9(14)18-5-13(6-19-10(2)15,7-20-11(3)16)8-21-12(4)17/h5-8H2,1-4H3
InChI Key	OUHCZCFQVONTOC-UHFFFAOYSA-N
MDL Number	MFCD00026206
Molecular Formula	C13H20O8
Molecular Weight	304.2931
NSC Number	1841
SMILES	O=C(OCC(COC(C)=O)(COC(C)=O)COC(C)=O)C
UNII	C4YXI01Z81
Synonyms	Pentaerythritol tetraacetate, 597-71-7, Normosterol, Normo-level, PAG [Romanian], TAPE, Pentaerythrityl Tetraacetate, Tetraacetyl pentestriol, Tetraacetil pentoetriol, NSC 1841, Pentaerythritol, tetraacetate, UNII-C4YXI01Z81, Tetraacetil pentoetriol [Romanian], C13H20O8, EINECS 209-907-8, Pentaerythrityl tetracetate, BRN 1804615, 2,2-Bis((acetyloxy)methyl)-1,3-propanediol diacetate, C4YXI01Z81, OUHCZCFQVONTOC-UHFFFAOYSA-N, T. A. P. E., 1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, diacetate, [3-acetyloxy-2,2-bis(acetyloxymethyl)propyl] acetate, 1,3-Propanediol, 2,2-bis((acetyloxy)methyl)-, diacetate, 1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, 1,3-diacetate, 1,3-Propanediol, 2,2-bis((acetyloxy)methyl)-, 1,3-diacetate, T.A.P.E., Poloxanlene 188, MFCD00026206, AC1L2AWV, Pentaerythritol tetracetate, CBDivE_003151, T.A.P.E, 4-02-00-00264 (Beilstein Handbook Reference), (C3H6O.C2H4O)x, SCHEMBL309351, OUHCZCFQVONTOC-UHFFFAOYSA-, NSC1841, NSC-1841, ZINC1577044, AKOS004906770, API0003782, MCULE-6107033599, AN-46268, O423, LS-101452, 1, 2,2-bis[(acetyloxy)methyl]-, diacetate, P0757, [3-acetoxy-2,2-bis(acetoxymethyl)propyl] acetate, 2,2-Bis(acetoxymethyl)propane-1,3-diyl diacetate, 3-(Acetyloxy)-2,2-bis[(acetyloxy)methyl]propyl acetate, 3-(Acetyloxy)-2,2-bis[(acetyloxy)methyl]propyl acetate #, InChI=1/C13H20O8/c1-9(14)18-5-13(6-19-10(2)15,7-20-11(3)16)8-21-12(4)17/h5-8H2,1-4H3, CID69007, C13-H20-O8, PAG,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	304.116g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	304.295g/mol
Monoisotopic Mass	304.116g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H303
Packing Group
Precautionary statements	P312
UN Code

Certificate of Analysis

Lot Number