3,3,5-Trimethylcyclohexyl methacrylate, mixture of isomers - CAS 7779-31-9
Catalog: |
BB036040 |
Product Name: |
3,3,5-Trimethylcyclohexyl methacrylate, mixture of isomers |
CAS: |
7779-31-9 |
Synonyms: |
(3,3,5-trimethylcyclohexyl) 2-methylprop-2-enoate |
IUPAC Name: | (3,3,5-trimethylcyclohexyl) 2-methylprop-2-enoate |
Description: | Ester monomer having a bulky alkyl group. |
Molecular Weight: | 210.31 |
Molecular Formula: | C13H22O2 |
Canonical SMILES: | CC1CC(CC(C1)(C)C)OC(=O)C(=C)C |
InChI: | InChI=1S/C13H22O2/c1-9(2)12(14)15-11-6-10(3)7-13(4,5)8-11/h10-11H,1,6-8H2,2-5H3 |
InChI Key: | DABQKEQFLJIRHU-UHFFFAOYSA-N |
Boiling Point: | 79 °C1 mmHg (lit.) |
Melting Point: | -15 °C(lit.) |
Flash Point: | 208 °CF |
Purity: | 95 % |
Density: | 0.93 g/mL at 25 °C(lit.) |
Appearance: | Liquid |
Storage: | Store at 4 degrees celsius |
LogP: | 0.08640 |
Refractive Index: | n20/D 1.456(lit.) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.161979940 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.161979940 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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