AG006WQN

2425-41-4 | 5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane

AG006WQN

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CAS Number	2425-41-4
Catalog Number	AG006WQN(AGN-PC-0JKD8G)
Chemical Name	5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane
IUPAC Name	[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol
InChI	InChI=1S/C12H16O4/c13-6-12(7-14)8-15-11(16-9-12)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2
InChI Key	DHWCGYXHBIWIPM-UHFFFAOYSA-N
MDL Number	MFCD00085385
Molecular Formula	C12H16O4
Molecular Weight	224.2530
NSC Number	48280
SMILES	OCC1(CO)COC(C2=CC=CC=C2)OC1
UNII	45KS02OV17
Synonyms	2425-41-4, 5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane, (2-phenyl-1,3-dioxane-5,5-diyl)dimethanol, Monobenzalpentaerythritol, Mono-benzalpentaerythritol, 2-Phenyl-1,3-dioxane-5,5-dimethanol, m-DIOXANE-5,5-DIMETHANOL, 2-PHENYL-, 2-Phenyl-m-dioxane-5,5-dimethanol, NSC 48280, BRN 0154755, [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol, UNII-45KS02OV17, 45KS02OV17, 1,3-Dioxane-5,5-dimethanol,2-phenyl-, 1,3-Dioxane-5,5-dimethanol, 2-phenyl-, NSC48280, PubChem24284, monobenzalpenta-erythritol, AC1Q7BVK, AC1Q7BVL, ACMC-1COD3, 4-19-00-01020 (Beilstein Handbook Reference), 1,5-dimethanol, 2-phenyl-, SCHEMBL744431, AC1L297N, O,O'-Benzylidenepentaerythritol, Mono-o-benzylidinepentaerythritol, CTK4F3202, DTXSID70178947, DHWCGYXHBIWIPM-UHFFFAOYSA-N, ZINC393547, ANW-25375, MFCD00085385, NSC-48280, AKOS003388786, MCULE-8830761953, AC-13565, AK198712, LS-62285, ZB012248, AB0168733, TR-011199, B2682, FT-0715134, ST45002398, KS-00001557, VU0494619-1, W-2505, 1,3-Dioxane-5,5-dimethanol, 2-phenyl- (9CI), (5-hydroxymethyl-2-phenyl-[1,3]dioxan-5-yl)methanol, I14-63079, F1995-0185, [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methan-1-ol, CID17042, C12-H16-O4, 5,5-BIS -2-PHENYL-1,3-DIOXANE, 5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane, 98% - 100G 100g,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	224.256g/mol
Monoisotopic Mass	224.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number