Isododecane supplier | CasNO.31807-55-3

Name
2 2 4 6 6-PENTAMETHYLHEPTANE
EINECS 236-757-0
CAS No. 31807-55-3
Density 0.75 g/cm³
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;
PSA 0.00000
LogP 4.78310

Isododecane 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

Product Name

2 2 4 6 6-PENTAMETHYLHEPTANE

Isododecane Specification

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