Tri-isobutyl phosphate

CAT: 0024-sc-495710Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-495710Size:1 g

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CAS Number

126-71-6

Chemical Information

Triisobutyl phosphate

Tri-isobutylphosphate is a trialkyl phosphate.

CAS Number	126-71-6
PubChem CID	31355
IUPAC Name	tris(2-methylpropyl) phosphate
Molecular Formula	C12H27O4P
Molecular Weight	266.31
XLogP	3.5
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	17
Formal Charge	0
Complexity	201

SMILES

CC(C)COP(=O)(OCC(C)C)OCC(C)C

InChI

InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3

InChIKey

HRKAMJBPFPHCSD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 126-71-6

CID: 31355

Formula: C12H27O4P

MW: 266.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.31
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	266.16469634
Monoisotopic Mass	266.16469634
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
280670-01	Tri-isobutyl phosphate
46511956-500g	Tri-Calcium phosphate
3125635	Tri-Sodium phosphate
042570-01	Tri-Calcium Phosphate (Calcium Phosphate Tribasic)
HY-W011086-01	Tri-O-tolyl phosphate
40000068-1	Tri-n-Butyl Phosphate
BUP17927-01	Tri (2-butoxyethyl) phosphate
11810524	Tri-Ammonium phosphate trihydrate
GTR19247832	Tri-Potassium Phosphate Monohydrate
T18405-01	Tri (butoxyethyl) phosphate 98%