AG003TL8

115-83-3 | Pentaerythrityl tetrastearate

AG003TL8

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CAS Number	115-83-3
Catalog Number	AG003TL8(AGN-PC-0WAJ9A)
Chemical Name	Pentaerythrityl tetrastearate
EC Number	204-110-1
IUPAC Name	[3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propyl] octadecanoate
InChI	InChI=1S/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
InChI Key	OCKWAZCWKSMKNC-UHFFFAOYSA-N
MDL Number	MFCD00041922
Molecular Formula	C77H148O8
Molecular Weight	1201.9942
SMILES	CCCCCCCCCCCCCCCCCC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)=O
UNII	W9Q3DZS0EG
Synonyms	Pentaerythritol tetrastearate, Pentaerythrityl tetrastearate, 115-83-3, UNII-W9Q3DZS0EG, Stearic acid, neopentanetetrayl ester, pentaerythritoltetrastearate, W9Q3DZS0EG, EINECS 204-110-1, [3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propyl] octadecanoate, Octadecanoic acid, 2,2-bis(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl ester, pe tetrastearate, OCTADECANOIC ACID, 2,2-BIS[[(1-OXOOCTADECYL)OXY]METHYL]-1,3-PROPANEDIYL ESTER, Pentaerythrittetrastearat, AC1L1UEO, Pantaerythritol tetrastearate, pentaerythritetetra-n-stearate, SCHEMBL158508, DTXSID7026944, CTK8I9707, OCKWAZCWKSMKNC-UHFFFAOYSA-N, 7750AF, C77H148O8, MFCD00041922, pentaerythrityl tetrastearate (pract), AN-22750, Pentaerythritol Tetrastearate (so called), LS-163875, stearic acid tetraester with pentaerythritol, FT-0724524, Pentaerythritol tetrastearate, contains Palmitate, W-108589, 2,2-bis(stearoyloxymethyl)propane-1,3-diyl distearate, 3-(stearoyloxy)-2,2-bis[(stearoyloxy)methyl]propyl stearate, octadecanoicacid,2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediylester, Octadecanoic acid, 1,1'-(2,2-bis(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl) ester, pentaerythrityl stearate, 1,1,1-Triethoxypropane, Pantaerythrit tetrastearate, Orthopropionic Acid Triethyl Ester, CID61037, [3-octadecanoyloxy-2,2-bis propyl]octadecanoate, Pentaerythritol tetrastearate, 95% - 100G 100g, Octadecanoic acid, 1,1'-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester, 51588-54-6,

Complexity	1180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1201.117g/mol
Formal Charge	0
Heavy Atom Count	85
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	1202.023g/mol
Monoisotopic Mass	1201.117g/mol
Rotatable Bond Count	76
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	33.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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Certificate of Analysis

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