Dihexadecyl phosphate

Catalog	DGS2197639
CAS	2197-63-9
Synonyms	Dicetyl phosphate
IUPAC Name	dihexadecyl hydrogen phosphate
Molecular Weight	546.85
Molecular Formula	C32H67O4P
InChI	InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)
InChI Key	RNPXCFINMKSQPQ-UHFFFAOYSA-N
Melting Point	74-75 °C
Purity	98%
Appearance	Powder
Complexity	434
EC Number	218-594-7
Exact Mass	546.47769761
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Hygroscopic	No
Isomeric SMILES	CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC
Light Sensitive	No
MDL Number	MFCD00008999
Monoisotopic Mass	546.47769761
Rotatable Bond Count	32
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	55.8 Ų
XLogP3-AA	14.5