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| CAS No.: | 76-32-4 |
|---|---|
| Name: | DL-CAMPHORIC ANHYDRIDE |
| Molecular Structure: | |
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|
|
| Formula: | C10H14O3 |
| Molecular Weight: | 182.219 |
| Synonyms: | Camphoricanhydride (6CI,7CI,8CI);NSC 4559;NSC 60293;NSC657821; |
| EINECS: | 200-952-9 |
| Density: | 1.137 g/cm3 |
| Melting Point: | 222-225 °C |
| Boiling Point: | 270 °C at 760 mmHg |
| Flash Point: | 121.1 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 43.37000 |
| LogP: | 4.48900 |
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Specification
The 3-Oxabicyclo[3.2.1]octane-2,4-dione,1,8,8-trimethyl-, with the CAS registry number 76-32-4, is also known as 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione. Its EINECS registry number is 200-952-9. This chemical's molecular formula is C10H14O3 and molecular weight is 182.22. What's more, its IUPAC name is called 5,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione.
Physical properties about 3-Oxabicyclo[3.2.1]octane-2,4-dione,1,8,8-trimethyl- are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.47; (6)ACD/BCF (pH 7.4): 3.47; (7)ACD/KOC (pH 5.5): 84.76; (8)ACD/KOC (pH 7.4): 84.76; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 46.13 cm3; (15)Molar Volume: 160.1 cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 1.137 g/cm3; (18)Flash Point: 121.1 °C; (19)Enthalpy of Vaporization: 50.82 kJ/mol; (20)Boiling Point: 270 °C at 760 mmHg; (21)Vapour Pressure: 0.00702 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, it may cause damage to health and it is harmful if swallowed. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(=O)C2CCC1(C2(C)C)C
(2) InChI: InChI=1/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3
(3) InChIKey: VFZDNKRDYPTSTP-UHFFFAOYAI