CAS No.589-34-4,3-Methylhexane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	589-34-4
Name:	3-Methylhexane
Article Data:	89

Formula:	C₇H₁₆
Molecular Weight:	100.204
Synonyms:	(à)-3-Methylhexane;2-Ethylpentane;3-Methylhexane;NSC 73937;
EINECS:	209-643-3
Density:	0.693 g/cm³
Melting Point:	119 °C
Boiling Point:	90.7 °C at 760 mmHg
Flash Point:	25 °F
Appearance:	CLEAR COLOURLESS LIQUID
Hazard Symbols:	F Xn N
Risk Codes:	11-38-50/53-65-67
Safety:	9-16-29-33-60-61-62
PSA:	0.00000
LogP:	2.83260

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Specification

The Hexane, 3-methyl-, with the CAS registry number 589-34-4, is also known as 2-Ethylpentane. It belongs to the product categories of Acyclic; Alkanes; Organic Building Blocks. Its EINECS registry number is 209-643-3. This chemical's molecular formula is C₇H₁₆ and molecular weight is 100.2. What's more, both its IUPAC name and systematic name are the same which is called 3-Methylhexane. In addition, it must be stored in airtight containers and placed in a cool place.

Physical properties about Hexane, 3-methyl- are: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1074.33; (6)ACD/BCF (pH 7.4): 1074.33; (7)ACD/KOC (pH 5.5): 5143.83; (8)ACD/KOC (pH 7.4): 5143.83; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.392; (13)Molar Refractivity: 34.43 cm³; (14)Molar Volume: 144.4 cm³; (15)Polarizability: 13.65×10^-24cm³; (16)Surface Tension: 20.6 dyne/cm; (17)Density: 0.693 g/cm³; (18)Enthalpy of Vaporization: 30.89 kJ/mol; (19)Boiling Point: 90.7 °C at 760 mmHg; (20)Vapour Pressure: 62.9 mmHg at 25 °C.

Preparation of Hexane, 3-methyl-: this chemical can be prepared by 3-Methylene-hexa-1,5-diene. This reaction needs reagent H₂, solvent 2,2,4-Trimethyl-pentane and catalyst 5 percent Pd/C. The yield is 100%.

Hexane, 3-methyl- can be prepared by 3-Methylene-hexa-1,5-diene

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health, may cause harm to breast-fed babies, may present an immediate or delayed danger to one or more components of the environment and may catch fire in contact with air, only need brief contact with an ignition source, have a very low flash point or evolve highly flammable gases in contact with water. As a chemical, it is irritating to skin. Besides, this chemical is highly flammable. You should keep container in a well-ventilated place and keep away from sources of ignition - No smoking. In addition, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so, you do not empty into drains. If you are dealing with this chemical, you should take precautionary measures against static discharges and avoid release to the environment. Refer to special instructions/safety data sheet. This material and its container must be disposed of as hazardous waste. If swallowed, you do not induce vomiting: seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(CC)CCC
(2)InChI: InChI=1/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
(3)InChIKey: VLJXXKKOSFGPHI-UHFFFAOYAV