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Heptane,2,2,6,6-tetramethyl-4-methylene-

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Name

Heptane,2,2,6,6-tetramethyl-4-methylene-

EINECS 205-495-9
CAS No. 141-70-8 Density 0.759 g/cm3
Solubility Melting Point
Formula C12H24 Boiling Point 190.9 °C at 760 mmHg
Molecular Weight 168.32 Flash Point 56.7 °C
Transport Information Appearance Clear liquid
Safety Risk Codes
Molecular Structure Molecular Structure of 141-70-8 (Heptane,2,2,6,6-tetramethyl-4-methylene-) Hazard Symbols IrritantXi
Synonyms

1-Pentene,4,4-dimethyl-2-neopentyl- (6CI,7CI,8CI);Ethylene, 1,1-dineopentyl- (4CI);1,1-Dineopentylethylene;2,2,6,6-Tetramethyl-4-methyleneheptane;2-Neopentyl-4,4-dimethyl-1-pentene;4,4-Dimethyl-2-neopentyl-1-pentene;

 

Heptane,2,2,6,6-tetramethyl-4-methylene- Specification

The Heptane,2,2,6,6-tetramethyl-4-methylene-, with the CAS registry number 141-70-8, is also known as 4,4-Dimethyl-2-neopentyl-1-pentene. Its EINECS registry number is 205-495-9. This chemical's molecular formula is C12H24 and molecular weight is 168.32. What's more, its systematic name is 2,2,6,6-Tetramethyl-4-methylideneheptane. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Heptane,2,2,6,6-tetramethyl-4-methylene- are: (1)ACD/LogP: 5.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.91; (4)ACD/LogD (pH 7.4): 5.91; (5)ACD/BCF (pH 5.5): 18294.24; (6)ACD/BCF (pH 7.4): 18294.24; (7)ACD/KOC (pH 5.5): 39133.73; (8)ACD/KOC (pH 7.4): 39133.73; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.429; (13)Molar Refractivity: 57.14 cm3; (14)Molar Volume: 221.6 cm3; (15)Polarizability: 22.65×10-24 cm3; (16)Surface Tension: 22.9 dyne/cm; (17)Density: 0.759 g/cm3; (18)Flash Point: 56.7 °C; (19)Enthalpy of Vaporization: 40.96 kJ/mol; (20)Boiling Point: 190.9 °C at 760 mmHg; (21)Vapour Pressure: 0.735 mmHg at 25 °C.

Use of Heptane,2,2,6,6-tetramethyl-4-methylene-: it is used to produce other chemicals. For example, it is used to produce 2,2,7,7-Tetramethyl-octan-4-one and 2,2-Dineopentyl-oxirane. The reaction occurs with reagent O3 and solvent CH2Cl2 with reaction temperature of 0 °C. The yield is about 27 %.

Heptane,2,2,6,6-tetramethyl-4-methylene- is used to produce 2,2,7,7-Tetramethyl-octan-4-one and 2,2-Dineopentyl-oxirane

You can still convert the following datas into molecular structure:
(1)SMILES: C(=C)(\CC(C)(C)C)CC(C)(C)C
(2)InChI: InChI=1/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h1,8-9H2,2-7H3
(3)InChIKey: TUFZRYOCZCLYJO-UHFFFAOYAK

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