Basic Information | Post buying leads | Suppliers |
Name |
Isododecane |
EINECS | 236-757-0 |
CAS No. | 31807-55-3 | Density | 0.75 g/cm3 |
PSA | 0.00000 | LogP | 4.78310 |
Solubility | Immiscible with water. | Melting Point |
<= -50oC |
Formula | C12H26 | Boiling Point | 208.9 °C at 760 mmHg |
Molecular Weight | 170.33 | Flash Point | 60.8 °C |
Transport Information | UN 2286 | Appearance | light yellow Clear liquid |
Safety | 62 | Risk Codes | 10-65 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Fancol ID;Hyfrane 120;Permethyl 99;Permethyl 99A; |
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