CAS No.590-35-2,2,2-Dimethylpentane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	590-35-2
Name:	2,2-Dimethylpentane
Article Data:	69

Formula:	C₇H₁₆
Molecular Weight:	100.204
Synonyms:	2,2-Dimethylpentane;
EINECS:	209-680-5
Density:	0.695 g/cm³
Melting Point:	-123.8℃
Boiling Point:	77.9 °C at 760 mmHg
Flash Point:	15 °F
Solubility:	4.4mg/L(25 oC)
Appearance:	colourless transparent liquid
Hazard Symbols:	F Xn N
Risk Codes:	11-38-50/53-65-67
Safety:	9-16-29-33-60-61-62
Transport Information:	UN 3295

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Specification

This chemical is called Pentane, 2,2-dimethyl-, and its systematic name is 2,2-Dimethylpentane. With the molecular formula of C₇H₁₆, its molecular weight is 100.20. The CAS registry number of the chemical is 590-35-2. Additionally, its product categories are Acyclic; Alkanes; Organic Building Blocks. However, this chemical should be stored in the sealed container, and put it in a cool and dry place.

Other characteristics of Pentane, 2,2-dimethyl- can be summarised as followings: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.11; (4)ACD/LogD (pH 7.4): 4.11; (5)ACD/BCF (pH 5.5): 781.51; (6)CD/BCF (pH 7.4): 781.51; (7)ACD/KOC (pH 5.5): 4096.03; (8)ACD/KOC (pH 7.4): 4096.03; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.393; (13)Molar Refractivity: 34.44 cm³; (14)Molar Volume: 144.1 cm³; (15)Polarizability: 13.65×10^-24cm³; (16)Surface Tension: 20.2 dyne/cm; (17)Density: 0.695 g/cm³; (18)Enthalpy of Vaporization: 29.23 kJ/mol; (19)Boiling Point: 77.9 °C at 760 mmHg; (20)Vapour Pressure: 105 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable, keep it away from sources of ignition. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing to the environment. when you use it, please refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste, keep container in a well-ventilated place.It is irritating to skin and may cause lung damage if swallowed, do not induce vomitting, seek medical advice immediately and show this container or label. Vapours may cause drowsiness and dizziness. Take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)CCC
2.InChI: InChI=1/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3
3.InChIKey: CXOWYJMDMMMMJO-UHFFFAOYAN
4.Std. InChI: InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3
5.Std. InChIKey: CXOWYJMDMMMMJO-UHFFFAOYSA-N