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Tetramethyl(n-propyl)cyclopentadiene

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Name

Tetramethyl(n-propyl)cyclopentadiene

EINECS N/A
CAS No. 64417-12-5 Density 0.816 g/cm3
PSA 0.00000 LogP 4.08910
Solubility N/A Melting Point N/A
Formula C12H20 Boiling Point 207.3 °C at 760 mmHg
Molecular Weight 164.291 Flash Point 67.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 64417-12-5 (TETRAMETHYL(N-PROPYL)CYCLOPENTADIENE) Hazard Symbols N/A
Synonyms

TETRAMETHYL(N-PROPYL)CYCLOPENTADIENE;Tetramethyl-(propyl)-cyclopentadiene;n-Propyl(tetramethylcyclopentadiene);Tetramethyl(n-propyl)cyclopentadiene, min. 97%

 

Tetramethyl(n-propyl)cyclopentadiene Specification

The cas register number of Tetramethyl(n-propyl)cyclopentadiene is 64417-12-5. It also can be called as 1,3-cyclopentadiene, 1,2,3,4-tetramethyl-5-propyl- and the Systematic name about this chemical is 1,2,3,4-tetramethyl-5-propyl-cyclopenta-1,3-diene.

Physical properties about Tetramethyl(n-propyl)cyclopentadiene are: (1)ACD/LogP: 5.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.7; (4)ACD/LogD (pH 7.4): 5.7; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Index of Refraction: 1.459; (9)Molar Refractivity: 55.04 cm3; (10)Molar Volume: 201.3 cm3; (11)Surface Tension: 22.6 dyne/cm; (12)Density: 0.816 g/cm3; (13)Flash Point: 67.9 °C; (14)Enthalpy of Vaporization: 42.55 kJ/mol; (15)Boiling Point: 207.3 °C at 760 mmHg; (16)Vapour Pressure: 0.326 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: CC=1C(CCC)C(\C)=C(\C)/C=1C
2.InChI: InChI=1/C12H20/c1-6-7-12-10(4)8(2)9(3)11(12)5/h12H,6-7H2,1-5H3 
3.InChIKey: SQGUQDKNIMNMLY-UHFFFAOYAN
4.Std. InChI: InChI=1S/C12H20/c1-6-7-12-10(4)8(2)9(3)11(12)5/h12H,6-7H2,1-5H3

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