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| CAS No.: | 7534-94-3 |
|---|---|
| Name: | Isobornyl methacrylate |
| Molecular Structure: | |
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| Formula: | C14H22O2 |
| Molecular Weight: | 222.327 |
| Synonyms: | 2-Propenoicacid, 2-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-;Methacrylic acid, isobornyl ester (6CI,7CI,8CI);Acryester IBX;Ageflex IBOMA;IBXMA;Isoborneol methacrylate;Light Ester IB-X;NKEster IB;SR 423;SR 423A;Sipomer IBOMA; |
| EINECS: | 231-403-1 |
| Density: | 0.99 g/cm3 |
| Melting Point: | -60 ºC |
| Boiling Point: | 263.1 ºC at 760 mmHg |
| Flash Point: | 104 ºC |
| Solubility: | negligible |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.30000 |
| LogP: | 3.32050 |
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Specification
The Isobornyl methacrylate, with its CAS registry number 7534-94-3, has the IUPAC name of [(1R,3R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate. And its product categories are including Bicyclic Monoterpenes; Biochemistry; Terpenes. When store it, you should keep it in the dry and cool place.
The physical properties of Isobornyl methacrylate are as below: (1)ACD/LogP: 4.77; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3; (7)Index of Refraction: 1.488; (8)Molar Refractivity: 64.14 cm3; (9)Molar Volume: 222.6 cm3; (10)Polarizability: 25.43×10-24 cm3; (11)Surface Tension: 32.4 dyne/cm; (12)Density: 0.99 g/cm3; (13)Flash Point: 104 °C; (14)Enthalpy of Vaporization: 50.1 kJ/mol; (15)Boiling Point: 263.1 °C at 760 mmHg; (16)Vapour Pressure: 0.0105 mmHg at 25°C; (17)Exact Mass: 222.16198; (18)MonoIsotopic Mass: 222.16198; (19)Topological Polar Surface Area: 26.3; (20)Heavy Atom Count: 16; (21)Complexity: 343.
When you are dealing with this chemical, you should be careful. This is irritating to eyes, respiratory system and skin and may then cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(=C)C(=O)OC1CC2CCC1(C2(C)C)C
(2)Isomeric SMILES: CC(=C)C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C
(3)InChI: InChI=1S/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/m1/s1
(4)InChIKey: IAXXETNIOYFMLW-GYSYKLTISA-N