CAS No.42296-74-2,1,5-HEXADIENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42296-74-2
Name:	1,5-HEXADIENE

Formula:	C₆H₁₀
Molecular Weight:	82.08
Synonyms:	Hexa-1,5-diene;
EINECS:	209-754-7
Density:	0.698 g/cm³
Melting Point:	-141 °C(lit.)
Boiling Point:	58 °C at 760 mmHg
Flash Point:	−17 °F
Appearance:	clear colorless liquid
Hazard Symbols:	F,Xn
Risk Codes:	11-36/37/38-65
Safety:	16-62
Transport Information:	UN 2458 3/PG 2
PSA:	0.00000
LogP:	2.13860

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Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Specification

The Hexadiene, with the CAS registry number 42296-74-2 and EINECS registry number 209-754-7, has the systematic name of hexa-1,5-diene. And the molecular formula of this chemical is C₆H₁₀. It is a kind of a clear colorless liquid with a petroleum-like odor, and insoluble in water.

The physical properties of Hexadiene are as following: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 78.93; (6)ACD/BCF (pH 7.4): 78.93; (7)ACD/KOC (pH 5.5): 793.72; (8)ACD/KOC (pH 7.4): 793.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 29.29 cm³; (15)Molar Volume: 117.7 cm³; (16)Polarizability: 11.61×10^-24cm³; (17)Surface Tension: 19.9 dyne/cm; (18)Density: 0.697 g/cm³; (19)Enthalpy of Vaporization: 28.82 kJ/mol; (20)Boiling Point: 58 °C at 760 mmHg; (21)Vapour Pressure: 226 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is a kind of highly flammable chemical which irritates eyes, respiratory system and skin. What's more, it may may cause lung damage if swallowed. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; If swallowed, 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: C=C\CC\C=C
(2)InChI: InChI=1/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2
(3)InChIKey: PYGSKMBEVAICCR-UHFFFAOYAB