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
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.
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.
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 |
