Neopentanediol dimethacrylate
Product Information
Molecular Formula
C13H20O4
Molecular Weight
240.30
Description
Neopentanediol dimethacrylate is an essential biomedicine compound that plays a crucial role in dental materials. Functioning as a cross-linking agent for dental composite resins, it remarkably improves their mechanical properties and wear resistance. Demonstrating exceptional biocompatibility, this compound contributes significantly to durable and aesthetically pleasing restorations in dental treatments, ensuring strength and longevity.
Synonyms
DIMETHYLTRIMETHYLENE GLYCOL DIMETHACRYLATE; 2,2-DIMETHYLPROPANEDIOL DIMETHACRYLATE; 2,2-DIMETHYL-1,3-PROPANEDIOL DIMETHACRYLATE; 1,3-BIS(METHACRYLOYLOXY)-2,2-DIMETHYLPROPANE; NEOPENTYL GLYCOL DIMETHACRYLATE; 2,2-Dimethylpropanedimethacrylate; 2-Propenoicacid,2
IUPAC Name
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILES
CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C
InChI
InChI=1S/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3
InChI Key
ULQMPOIOSDXIGC-UHFFFAOYSA-N
Boiling Point
87 °C0.6 mm Hg(lit.)
Melting Point
5°C
Flash Point
>230 °F
Purity
>90.0%(GC)
Density
1.003 g/mL at 25 °C(lit.)
Appearance
Colorless to Almost colorless clear liquid
Refractive Index
n20/D 1.453(lit.)
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
3.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
8
Exact Mass
240.13615911 g/mol
Monoisotopic Mass
240.13615911 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
307
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
