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Tris (2-butoxyethyl) phosphate

CAT: 1568-C02167Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C02167Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78-51-3
Synonyms
TBEP
SKU
C02167-5mg
Target
Immunology & Inflammation related
Applications
Immunology & Inflammation
Smiles
CCCCOCCO[P; v5] (=O) (OCCOCCCC) OCCOCCCC
Additionnal Information
Oral exposure to low-dose Tris (2-butoxyethyl) phosphate (TBEP) levels equivalent to tolerable daily intake may exacerbate allergic pulmonary inflammation by promoting a skewed T-helper 2 cell response, upregulation of ERα and dysregulation of both MLN and BM microenvironments.
Storage Conditions
2 years -20°C liquid

Chemical Information

Tris(2-butoxyethyl) phosphate

Tris(2-butoxyethyl) phosphate is a trialkyl phosphate in which the alkyl group specified is 2-butoxyethyl. It has a role as an environmental contaminant and a flame retardant.

CAS Number78-51-3
PubChem CID6540
IUPAC Nametris(2-butoxyethyl) phosphate
Molecular FormulaC18H39O7P
Molecular Weight398.5
XLogP2.8
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count21
Heavy Atom Count26
Formal Charge0
Complexity281
SMILES
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
InChI
InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
InChIKey
WTLBZVNBAKMVDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tris(2-butoxyethyl) phosphate
CAS: 78-51-3
CID: 6540
Formula: C18H39O7P
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count21
Exact Mass398.24334058
Monoisotopic Mass398.24334058
Topological Polar Surface Area72.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity281
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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Alternative Products

CatalogName
sc-237373Tris (2-butoxyethyl) phosphate
T0653-01Tris (2-chloroethyl) phosphate
TRC-T875500-1GTris(2-chloroethyl)phosphate
TRC-T884650-100GTris(2-ethylhexyl) Phosphate
TRC-T875030-250GTris(2-butyloxyethyl)phosphate
OR1015379-01Tris (2-Ethylhexyl) Phosphate
AR-P31430-01Tris (2-butyloxyethyl) phosphate
sc-475732Tris (2-isopropylphenyl) Phosphate
JH128819Tris (2-Chloropropyl) Phosphate
TRC-T885300-250MGTris(2-isopropylphenyl) Phosphate

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