CAS 78-51-3 Tris(2-butoxyethyl) Phosphate - Materials / Alfa Chemistry

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Tris(2-butoxyethyl) Phosphate

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Catalog Number

ACM78513-1

Product Name

Tris(2-butoxyethyl) Phosphate

Structure

CAS

78-51-3

Category

Battery Materials

Synonyms

Phosphoric Acid Tris(2-butoxyethyl) Ester

Description

Tributoxyethyl phosphate is a slightly yellow viscous liquid. (NTP, 1992);Liquid

IUPAC Name

tris(2-butoxyethyl) phosphate

Molecular Weight

398.48

Molecular Formula

C18H39O7P

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

Boiling Point

220 °C / 4 mmHg

Melting Point

-33 °C

Flash Point

210 °C

Purity

>95.0%(GC)

Density

1.02

Solubility

Soluble (NTP, 1992);0.00 M;In water, 1,100 mg/L at 25 °C;SOL IN MINERAL OILS & MOST ORG LIQ;Insoluble or limited solubility in glycerol, glycols, certain amines; soluble in most organic liquids

Appearance

Colorless to Light yellow clear liquid

Storage

Store under inert gas

Color/Form

Liquid;Light-colored liquid;Slightly yellow, oily liquid

Complexity

281

Covalently-Bonded Unit Count

EC Number

201-122-9

Exact Mass

398.243341g/mol

Formal Charge

Hazard Statements

H320 : Causes eye irritation.

Heavy Atom Count

Log P

3.75 (LogP);low Kow = 3.75

MDL Number

MFCD00009456

MeSH Entry Terms

tributoxyethyl phosphate;tris(2-butoxyethyl) phosphate

Monoisotopic Mass

398.243341g/mol

NSC Number

62228;4839

Odor

SWEETISH;Butyl-like

Other Experimental

BP: 215-228 °C at 4 mm Hg;BP: 200-230 °C at 4 mm Hg;BP: 255 °C at 10 mm Hg;VP: 0.03 mm Hg at 150 °C;Henry's Law constant = 1.2X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.2X10-10 cu cm/molec-sec at 25 °C (est)

Precautionary Statements

P264 : Wash skin thoroughly after handling.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Refractive Index

1.44

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

1.02

Stability

Stable under recommended storage conditions.

UNII

RYA6940G86

Vapor Density