Tris(2-butoxyethyl) phosphate,C18H39O7P,78-51-3

• CAS: 78-51-3
• Catalog Number: ACM78513
• Category: Polymer/Macromolecule
• Molecular Weight: 398.477g/mol
• Molecular Formula: C18H39O7P
• Synonyms: I14-11686; AN-42105; AC1L1MR7; Tris-(2-butoxyethyl)fosfat [Czech]; KSC377C2F; NCGC00259142-01; UNII-RYA6940G86; 2-Butoxyethanol phosphate; SCHEMBL37268; Phosphoric acid, tri-(2-butoxyethyl) ester
• IUPAC Name: tris(2-butoxyethyl) phosphate
• Canonical 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
• InChI Key: WTLBZVNBAKMVDP-UHFFFAOYSA-N
• Melting Point: -94 ° F (NTP, 1992);-70.0°C;-70 deg C
• Density: 1.02 at 68 ° F (NTP, 1992);1.02 g/cu cm at 20 deg C
• Solubility: Soluble (NTP, 1992);0.00 M;In water, 1,100 mg/L at 25 deg C;SOL IN MINERAL OILS & MOST ORG LIQ;Insoluble or limited solubility in glycerol, glycols, certain amines; soluble in most organic liquids
• Application: Primary plasticizer for most resins and elastomers, floor finishes and waxes, flame-retarding agent.
• Color/Form: Liquid;Light-colored liquid;Slightly yellow, oily liquid
• Complexity: 281
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits toxic fumes of /phosphorous oxides/
• EC Number: 201-122-9
• Exact Mass: 398.243g/mol
• H-Bond Acceptor: 7
• Heavy Atom Count: 26
• Monoisotopic Mass: 398.243g/mol
• NSC Number: 62228
• Octanol Water Partition Coefficient: 3.75 (LogP);low Kow = 3.75
• Odor: SWEETISH;Butyl-like
• Other Experimental: BP: 215-228 deg C at 4 mm Hg;BP: 200-230 deg C at 4 mm Hg;BP: 255 deg C at 10 mm Hg;VP: 0.03 mm Hg at 150 deg C;Henry's Law constant = 1.2X10-11 atm-cu m/mol at 25 deg C (est);Hydroxyl radical reaction rate constant = 1.2X10-10 cu cm/molec-sec at 25 deg C (est)
• Physical Description: TRIBUTOXYETHYL PHOSPHATE is a slightly yellow viscous liquid. (NTP, 1992);Liquid
• Rotatable Bond Count: 21
• Stability: Stable under recommended storage conditions.
• Topological Polar Surface Area: 72.4A^2
• UNII: RYA6940G86
• Vapor Pressure: 0.03 mm Hg at 302 ° F (NTP, 1992);1.2X10-6 mm Hg at 25 deg C

Custom Reviews

December 15, 2022

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great product！
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Custom Q&A

What is the molecular formula of Tris(2-butoxyethyl) phosphate?

The molecular formula of Tris(2-butoxyethyl) phosphate is C18H39O7P.

What is the molecular weight of Tris(2-butoxyethyl) phosphate?

The molecular weight of Tris(2-butoxyethyl) phosphate is 398.5 g/mol.

What is the IUPAC name of Tris(2-butoxyethyl) phosphate?

The IUPAC name of Tris(2-butoxyethyl) phosphate is tris(2-butoxyethyl) phosphate.

What is the InChI key of Tris(2-butoxyethyl) phosphate?

The InChI key of Tris(2-butoxyethyl) phosphate is WTLBZVNBAKMVDP-UHFFFAOYSA-N.

What is the canonical SMILES of Tris(2-butoxyethyl) phosphate?

The canonical SMILES of Tris(2-butoxyethyl) phosphate is CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC.

What is the CAS number of Tris(2-butoxyethyl) phosphate?

The CAS number of Tris(2-butoxyethyl) phosphate is 78-51-3.

What is the UNII of Tris(2-butoxyethyl) phosphate?

The UNII of Tris(2-butoxyethyl) phosphate is RYA6940G86.

What is the molecular weight of Tris(2-butoxyethyl) phosphate according to PubChem?

The molecular weight of Tris(2-butoxyethyl) phosphate according to PubChem is 398.5 g/mol.

What is the XLogP3-AA value of Tris(2-butoxyethyl) phosphate?

The XLogP3-AA value of Tris(2-butoxyethyl) phosphate is 2.8.

What is the hydrogen bond donor count of Tris(2-butoxyethyl) phosphate?

The hydrogen bond donor count of Tris(2-butoxyethyl) phosphate is 0.