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Dibutyl adipate

Catalog Number
ACM105997-2
Product Name
Dibutyl adipate
Structure
CAS
105-99-7
Category
Plastic Additives
Synonyms
Butyl adipate
Description
Dibutyl adipate (DBA) is a plasticizer and a skin conditioning agent in cosmetics that is a mixture of a diester of butyl alcohol and adipic acid. It is soluble in water and organic solvents and does not absorb radiation in the ultraviolet region.
IUPAC Name
Dibutyl hexanedioate
Molecular Weight
258.35
Molecular Formula
[CH2CH2CO2(CH2)3CH3]2
Canonical SMILES
CCCCOC(=O)CCCCC(=O)OCCCC
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 (lit.)
Melting Point
-32 °C
Flash Point
>230 °F
Purity
99%+
Density
0.962 g/mL at 25 °C (lit.)
Solubility
Solubility in water, g/100ml at 25 °C: 0.0035 (very poor)
Appearance
Colorless to Almost colorless clear liquid
Application
DBA can be used as a plasticizer to produce a mixture with polyvinyl chloride (PVC), which forms soft gel type electro-active materials for soft robotic actuators and adaptive lenses. It may also be used to plasticize polyurethane gels for potential usage in biomedical s.
Complexity
202
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
203-350-4
Exact Mass
258.18310931
Features And Benefits
1. High quality products
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Formal Charge
0
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
ICSC Number
1705
Isotope Atom Count
0
Log P
4.17
MDL Number
MFCD00009451
MeSH Entry Terms
dibutyl adipate
Monoisotopic Mass
258.18310931
NSC Number
8086
Packaging
Packaging
250 mL in glass bottle
Refractive Index
n20/D 1.436 (lit.)
Rotatable Bond Count
13
Topological Polar Surface Area
52.6 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
F4K100DXP3
UN Number
3082
Vapor Density
Relative vapor density (air = 1): 8.9
Vapor Pressure
Vapor pressure, Pa at 25 °C: 0.021
XLogP3
3.1
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