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CAS No.: | 10334-26-6 |
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Name: | (1R)-(-)-CAMPHORQUINONE |
Article Data: | 52 |
Molecular Structure: | |
Formula: | C10H14O2 |
Molecular Weight: | 166.22 |
Synonyms: | 2,3-Bornanedione,(1R,4S)-(-)- (8CI);Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1R)-;(-)-(1R)-Camphorquinone;(-)-Camphorquinone;(1R)-(-)-Camphorquinone;(1R)-2,3-Bornanedione;(1R)-Camphorquinone;(1R,4S)-2,3-Bornanedione;l-Camphorquinone; |
EINECS: | 220-446-1 |
Density: | 1.098 g/cm3 |
Melting Point: | 200-203 °C(lit.) |
Boiling Point: | 226.473 °C at 760 mmHg |
Flash Point: | 82.965 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-43 |
Safety: | 36/37 |
PSA: | 34.14000 |
LogP: | 1.58070 |
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The IUPAC name of Bicyclo[2.2.1]heptane-2,3-dione,1,7,7-trimethyl-, (1R,4S)- is 4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione. With the CAS registry number 10334-26-6, it is also named as (1R)-2,3-Bornanedione. The product's categories are Anthraquinones, Hydroquinones and Quinones; Bicyclic Monoterpenes; Biochemistry; Terpenes. Besides, this chemical is yellow crystalline powder, which should be stored in closed, cool and dry place. In addition, its molecular formula is C10H14O2 and its molecular weight is 166.22.
The other characteristics of Bicyclo[2.2.1]heptane-2,3-dione,1,7,7-trimethyl-, (1R,4S)- can be summarized as: (1)EINECS: 220-446-1; (2)ACD/LogP: 1.52; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1; (5)ACD/LogD (pH 7.4): 1; (6)ACD/BCF (pH 5.5): 8; (7)ACD/BCF (pH 7.4): 8; (8)ACD/KOC (pH 5.5): 151; (9)ACD/KOC (pH 7.4): 151; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 0; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 44.526 cm3; (15)Molar Volume: 151.372 cm3; (16)Surface Tension: 36.608 dyne/cm; (17)Density: 1.098 g/cm3; (18)Flash Point: 82.965 °C; (19)Melting Point: 200-203 °C; (20)Enthalpy of Vaporization: 46.302 kJ/mol; (21)Boiling Point: 226.473 °C at 760 mmHg; (22)Vapour Pressure: 0.082 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. It also may cause sensitization by skin contact. You should wear suitable protective clothing and gloves.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1C(=O)[C@H]2CC[C@]1(C)C2(C)C
(2)InChI: InChI=1/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m1/s1
(3)InChIKey: VNQXSTWCDUXYEZ-LDWIPMOCBI
(4)Std. InChI: InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m1/s1
(5)Std. InChIKey: VNQXSTWCDUXYEZ-LDWIPMOCSA-N