2,2,4,4-Tetramethyl-1,3-cyclobutanediol
Product Information
Molecular Formula
C8H16O2
Molecular Weight
144.21
Description
2,2,4,4-Tetramethyl-1,3-cyclobutanediol (CAS# 3010-96-6) is a useful research chemical.
Synonyms
Tetramethyl-1,3-cyclobutanediol; 1,1,3,3-Tetramethylcyclobutanediol; cis-2,2,4,4-Tetramethyl-1,3-cyclobutanediol
IUPAC Name
2,2,4,4-tetramethylcyclobutane-1,3-diol
SMILES
CC1(C(C(C1O)(C)C)O)C
InChI
InChI=1S/C8H16O2/c1-7(2)5(9)8(3,4)6(7)10/h5-6,9-10H,1-4H3
InChI Key
FQXGHZNSUOHCLO-UHFFFAOYSA-N
Boiling Point
210-215 °C
Melting Point
123-125 °C
Flash Point
125 °F
Purity
≥ 98.0 %
Density
1.017 g/cm3
Solubility
Slightly soluble in DMSO, Methanol
Appearance
White to off-white solid
Storage
2-8 °C
Refractive Index
1.5100 (estimate)
LogP
0.77420
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
1.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
144.115029749 g/mol
Monoisotopic Mass
144.115029749 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
115
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-114133549-A | Fully biodegradable branched aliphatic polycarbonate and preparation method and application thereof | 2021-12-10 |
| CN-114160191-A | Catalytic cracking catalyst, preparation method and application thereof | 2021-12-02 |
| CN-114133541-A | High-hydrolysis-resistance polyester polyol, preparation method thereof and application thereof in waterborne polyurethane resin | 2021-11-12 |
| CN-113717358-A | High-resilience anti-shrinkage foamable modified polyester bead and preparation method thereof | 2021-08-31 |
| CN-113549207-A | Polycondensation catalyst for polyester synthesis, preparation method and application thereof | 2021-08-18 |
| CN-114011357-A | High-viscosity copolyester production system and method with mixed alcohol separation and recovery functions | 2021-08-17 |
| CN-113801305-A | Degradable bio-based polyester and preparation method, degradation method and application thereof | 2021-08-13 |
| CN-113563683-A | Antibacterial acrylic sheet and preparation method thereof | 2021-06-24 |
| CN-113603992-A | Outdoor acrylic light diffusion plate and preparation method thereof | 2021-06-24 |
| CN-113308899-A | Carbon fiber after surface sizing and preparation method and application thereof | 2021-05-26 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22343188 | 2012-06-01 | Lack of androgenicity and estrogenicity of the three monomers used in Eastman's Tritan™ copolyesters | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
