Butyl Phthalyl Butyl Glycolate

Inquiry

Molecular Formula:

C18H24O6

Molecular Weight:

336.38

CAS Number:

85-70-1

Catalog Number:

85-70-1

Product Information

Molecular Formula:

C18H24O6

Molecular Weight:

336.38

Description

Butyl phthalyl butylglycolate is a benzoate ester.

Synonyms

Butoxycarbonylmethyl Butyl Phthalate||||Phthalic Acid Butoxycarbonylmethyl Butyl Ester

IUPAC Name

2-O-(2-butoxy-2-oxoethyl) 1-O-butyl benzene-1,2-dicarboxylate

Canonical SMILES

CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC

InChI

InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3

InChI Key

GOJCZVPJCKEBQV-UHFFFAOYSA-N

Boiling Point

219 °C/5 mmHg

Melting Point

BELOW -35 °C

Flash Point

199 °C

Purity

>95.0%(GC)

Density

1.10

Solubility

water, 2.135 mg/L @ 25 °C (est)

Appearance

Colorless to Light yellow to Light orange clear liquid

Application

Used as a plasticizer for polyvinyl chloride.

Refractive Index

1.49

Stability

Extremely light stable.

LogP

log Kow = 4.15 (est)

Vapor Pressure

0.00000707 [mmHg]

Henry's Law Constant

2.06X10-8 atm-cu m/mol at 25 °C (est)

Decomposition

When heated to decomp it emits acrid smoke and irritating fumes.

Odor

ODORLESS

Safety Information

Hazards

H413:
May cause long-lasting harmful effects to aquatic life.

Precautionary Statement

P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

4.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

336.15728848 g/mol

Monoisotopic Mass

336.15728848 g/mol

Topological Polar Surface Area

78.9Å²

Heavy Atom Count

Formal Charge

Complexity

406

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
US-11207334-B1	Fospropofol formulations	2021-03-30
JP-6944033-B1	Biodegradable resin aqueous dispersion and its manufacturing method, and food packaging paper using biodegradable resin aqueous dispersion	2020-10-05
WO-2022050056-A1	Patch and method for producing same	2020-09-03
WO-2022034877-A1	Urethane composition	2020-08-12
WO-2022014601-A1	Film-coated tablets	2020-07-13
WO-2022015505-A1	Head-up display system with half waveplate optimized for better performance	2020-07-13
JP-2022012861-A	Compositions and Methods for Treating or Preventing Hematopoietic Disorders	2020-07-02
WO-2022005729-A1	Washable cellulose acetate fiber blends for thermal insulation	2020-06-30
JP-2021195307-A	A scrubbing agent, a scrubbing agent-containing composition, and a method for producing a scrubbing agent.	2020-06-10
JP-6966601-B1	A scrubbing agent, a scrubbing agent-containing composition, and a method for producing a scrubbing agent.	2020-06-10

Literatures

PMID	Publication Date	Title	Journal
20610875	2010-08-01	Effect of PMMA polymer on the dynamic viscoelasticity and plasticizer leachability of PEMA-based tissue conditioners	Dental materials journal
15053910	2004-05-01	Leachability of plasticizer and residual monomer from commercial temporary restorative resins	Journal of dentistry
11426883	2001-07-01	The effect of particle size on the gelation of tissue conditioners	Biomaterials

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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