CAS No.25167-70-8,DIISOBUTYLENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	25167-70-8
Name:	DIISOBUTYLENE

Formula:	C₈H₁₆
Molecular Weight:	112.21
Synonyms:	2,2,4-Trimethylpentene;2,4,4-Trimethylpentene;Diisobutene;Diisobutylene;1-Methyl-1-neopentylethylene;
EINECS:	246-690-9
Density:	0.721 g/cm³
Melting Point:	-106°C(lit.)
Boiling Point:	101.4 °C at 760 mmHg
Flash Point:	2 °C
Solubility:	Insoluble in water
Appearance:	colorless liquid
Hazard Symbols:	F,N
Risk Codes:	11-51/53
Safety:	9-16-29-33-61
Transport Information:	UN 2050
PSA:	0.00000
LogP:	5.99740

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Specification

The Pentene,2,4,4-trimethyl-, with the CAS registry number 25167-70-8, is also known as Diisobutylene. Its EINECS number is 246-690-9. This chemical's molecular formula is C₈H₁₆ and molecular weight is 112.21. What's more, its IUPAC name is 2,4,4-trimethylpent-1-ene.

Physical properties of Pentene,2,4,4-trimethyl- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/BCF (pH 5.5): 841.43; (5)ACD/KOC (pH 5.5): 4318.47; (6)#Freely Rotating Bonds: 2; (7)Index of Refraction: 1.411; (8)Molar Refractivity: 38.64 cm³; (9)Molar Volume: 155.5 cm³; (10)Polarizability: 15.32×10^-24cm³; (11)Surface Tension: 20.4 dyne/cm; (12)Density: 0.721 g/cm³; (13)Enthalpy of Vaporization: 32.65 kJ/mol; (14)Boiling Point: 101.4 °C at 760 mmHg; (15)Vapour Pressure: 40.6 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. You must keep the container in a well-ventilated place. You should not empty it into drains. You need take precautionary measures against static discharges. What's more, it should be avoided releasing to the environment just refering to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=C)CC(C)(C)C
(2)InChI: InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
(3)InChIKey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N