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Bis (2-butoxyethyl) phosphate

CAT: 0804-HY-W585872-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W585872-01Size:5 mg
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Description
Bis (2-butoxyethyl) phosphate (BBOEP) is a metabolite of the flame retardant tris (2-butoxyethyl) phosphate (TBOEP) . Bis (2-butoxyethyl) phosphate (BBOEP) can be used in biomonitoring studies and risk assessments[1].
CAS Number
14260-97-0
Product Name Alternative
BBOEP
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=P(OCCOCCCC)(OCCOCCCC)O
Molecular Formula
C12H27O6P
Molecular Weight
298.31
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Van den Eede N, et al. In vitro biotransformation of tris (2-butoxyethyl) phosphate (TBOEP) in human liver and serum. Toxicol Appl Pharmacol. 2015 Apr 15;284 (2) :246-53.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

Ethanol, 2-butoxy-, 1,1'-(hydrogen phosphate)
CAS Number14260-97-0
PubChem CID84299
IUPAC Namebis(2-butoxyethyl) hydrogen phosphate
Molecular FormulaC12H27O6P
Molecular Weight298.31
XLogP1.2
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity216
SMILES
CCCCOCCOP(=O)(O)OCCOCCCC
InChI
InChI=1S/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)
InChIKey
NNXWIPHZHATIFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanol, 2-butoxy-, 1,1'-(hydrogen phosphate)
CAS: 14260-97-0
CID: 84299
Formula: C12H27O6P
MW: 298.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.31
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass298.15452557
Monoisotopic Mass298.15452557
Topological Polar Surface Area74.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
4164352-Butoxyethyl Phosphate
558591Tri(2-butoxyethyl) phosphate
GTR19224678-01Tri (2-butoxyethyl) phosphate
TRC-B692657-25MG2-Butoxyethyl-d4 Phosphate
sc-237373Tris (2-butoxyethyl) phosphate
TYD-03340-01Bis (2-butoxyethyl) phosphate
JH8517092-butoxyethyl dihydrogen phosphate
442885-01Bis (butoxyethyl) Phosphate
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