dibutyl adipate

Product Information

Molecular Formula:
C14H26O4
Molecular Weight:
258.36
Description
Bis(2-ethylhexyl)sebacate has been used as a platicizer for styrene resins, PVC, nitrocelluloses, and other plastics. Bis(2-ethylhexyl)sebacate has been used in the construction of ion-selective polymeric membrane electrodes.
Synonyms
3 PS; 3ps; Adimoll DB; Cetiol B; cetiolb; Dibutyl adipinate
IUPAC Name
dibutyl hexanedioate
Canonical SMILES
CCCCOC(=O)CCCCC(=O)OCCCC
InChI
InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
InChI Key
XTJFFFGAUHQWII-UHFFFAOYSA-N
Boiling Point
305°C
Melting Point
-20°C
Flash Point
>235.4 °F
Purity
>99.0%(GC)
Density
0.962
Solubility
Solubility in water, g/100ml at 25 °C: 0.0035 (very poor)
Appearance
Colorless liquid
Refractive Index
n20/D 1.436 (lit.)
LogP
4.17
Vapor Pressure
Vapor pressure, Pa at 25 °C: 0.021

Safety Information

Hazards
H361:
Suspected of damaging fertility or the unborn child.
H411:
Toxic to aquatic life with long-lasting effects.
Precautionary Statement
P201:
Obtain special instructions before use.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:
If exposed or concerned:
Get medical advice/attention.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
3.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
13
Exact Mass
258.18310931 g/mol
Monoisotopic Mass
258.18310931 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
202
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114149339-A Ultraviolet absorbent, composition, cosmetic and process for preparing cosmetic 2021-12-28
CN-114105598-A Antibacterial silica gel product and production process thereof 2021-12-20
DE-202021003812-U1 Two-phase make-up remover 2021-12-17
JP-2022031355-A Pest control method 2021-12-15
CN-114106481-A Toughened polystyrene filling master batch and preparation method thereof 2021-12-13
JP-2022033116-A Refractory resin composition, refractory sheet and fittings 2021-11-25
CN-114086201-A Electrochemical synthesis method of adipate 2021-11-18
CN-114058047-A Coating forming type TPU film and preparation and application of paint surface protective film thereof 2021-11-10
CN-113881168-A Reusable composition for mold and mold manufacturing method 2021-11-09
CN-114010613-A Enteric coated preparation of liushen pills and preparation method thereof 2021-11-09

Literatures

PMID Publication Date Title Journal
21604779 2011-06-21 Influence of plasticizer content on the transition of electromechanical behavior of PVC gel actuator Langmuir : the ACS journal of surfaces and colloids
20352652 2010-10-01 Simultaneous determination of phthalates and adipates in human serum using gas chromatography-mass spectrometry with solid-phase extraction Biomedical chromatography : BMC
20374814 2010-03-01 Development and application of a method for analysis of phthalates in ham sausages by solid-phase extraction and gas chromatography-mass spectrometry Meat science
19646033 2009-06-01 GC/MS method for the determination of adipate plasticizers in ham sausage and its application to kinetic and penetration studies Journal of food science
17406864 2007-07-01 Development of yeast cells displaying Candida antarctica lipase B and their application to ester synthesis reaction Applied microbiology and biotechnology
17174535 2007-02-15 Surface modification of poly(tetramethylene adipate-co-terephthalate) membrane via layer-by-layer assembly of chitosan and dextran sulfate polyelectrolyte multiplayer Colloids and surfaces. B, Biointerfaces
16497524 2006-11-01 Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods Journal of molecular graphics & modelling
16835133 2006-01-01 Amended final report of the safety assessment of dibutyl adipate as used in cosmetics International journal of toxicology
15360276 2004-09-01 Biodegradation of aliphatic homopolyesters and aliphatic-aromatic copolyesters by anaerobic microorganisms Biomacromolecules
15468220 2004-03-15 Crystal structure, thermal behavior and enzymatic degradation of poly(tetramethylene adipate) solution-grown chain-folded lamellar crystals Macromolecular bioscience
The molarity calculator equation

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

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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