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| CAS No.: | 31807-55-3 |
|---|---|
| Name: | 2 2 4 6 6-PENTAMETHYLHEPTANE |
| Molecular Structure: | |
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|
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| Formula: | C12H26 |
| Molecular Weight: | 170.33 |
| Synonyms: | Fancol ID;Hyfrane 120;Permethyl 99;Permethyl 99A; |
| EINECS: | 236-757-0 |
| Density: | 0.75 g/cm3 |
| Melting Point: | <= -50oC |
| Boiling Point: | 208.9 °C at 760 mmHg |
| Flash Point: | 60.8 °C |
| Solubility: | Immiscible with water. |
| Appearance: | light yellow Clear liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-65 |
| Safety: | 62 |
| Transport Information: | UN 2286 |
| PSA: | 0.00000 |
| LogP: | 4.78310 |
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Specification
This chemical is called Isododecane, and its systematic name is 2-Methylundecane. With the molecular formula of C12H26, its product categories are Acyclic; Alkanes; Organic Building Blocks. The CAS registry number of this chemical is 31807-55-3. In addition, keep this chemical in the cool and dry place where the room is ventilated.
Other characteristics of the Isododecane can be summarised as followings: (1)ACD/LogP: 6.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.95; (4)ACD/LogD (pH 7.4): 6.95; (5)ACD/BCF (pH 5.5): 112270.78; (6)ACD/BCF (pH 7.4): 112270.78; (7)ACD/KOC (pH 5.5): 143403.25; (8)ACD/KOC (pH 7.4): 143403.25; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.421; (13)Molar Refractivity: 57.6 cm3; (14)Molar Volume: 226.9 cm3; (15)Polarizability: 22.83×10-24cm3; (16)Surface Tension: 24.8 dyne/cm; (17)Density: 0.75 g/cm3; (18)Flash Point: 60.8 °C; (19)Enthalpy of Vaporization: 42.7 kJ/mol; (20)Boiling Point: 208.9 °C at 760 mmHg; (21)Vapour Pressure: 0.301 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is flammable. It may cause lung damage if swallowed. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
1.SMILES: C(CCCCCCCC(C)C)C
2.InChI: InChI=1/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3
3.InChIKey: GTJOHISYCKPIMT-UHFFFAOYAO