CAS No.17102-64-6,(E,E)-2,4-Hexadien-1-ol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17102-64-6
Name:	(E,E)-2,4-Hexadien-1-ol
Article Data:	34

Formula:	C₆H₁₀O
Molecular Weight:	98.1448
Synonyms:	2,4-Hexadien-1-ol,(E,E)- (8CI);(2E,4E)-2,4-Hexadien-1-ol;Sorbicalcohol;Sorbinic alcohol;Sorbinol;Sorbyl alcohol;trans,trans-2,4-Hexadien-1-ol;trans-2,4-Hexadienol;
EINECS:	241-173-4
Density:	0.873 g/cm³
Melting Point:	28-33 °C(lit.)
Boiling Point:	179.4 °C at 760 mmHg
Flash Point:	63.7 °C
Solubility:	Slightly miscible with water.
Appearance:	clear colorless to light yellow liquid
Hazard Symbols:	Xn
Risk Codes:	21/22-41-36/37/38
Safety:	26-36/37/39
Transport Information:	UN 2811 6.1/PG 3
PSA:	20.23000
LogP:	1.11100

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Specification

The (E,E)-2,4-Hexadien-1-ol, with the CAS registry number 17102-64-6 and EINECS registry number 241-173-4, has the systematic name of (2E,4E)-hexa-2,4-dien-1-ol. And the molecular formula of this chemical is C₆H₁₀O. It is a kind of clear colorless to light yellow liquid, and you should keep the container tightly closed and dry in a well-ventilated place.

The physical properties of (E,E)-2,4-Hexadien-1-ol are as following: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.33; (6)ACD/BCF (pH 7.4): 6.33; (7)ACD/KOC (pH 5.5): 130.47; (8)ACD/KOC (pH 7.4): 130.47; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 31.49 cm³; (15)Molar Volume: 112.3 cm³; (16)Polarizability: 12.48×10^-24cm³; (17)Surface Tension: 29.6 dyne/cm; (18)Density: 0.873 g/cm³; (19)Flash Point: 63.7 °C; (20)Enthalpy of Vaporization: 48.39 kJ/mol; (21)Boiling Point: 179.4 °C at 760 mmHg; (22)Vapour Pressure: 0.281 mmHg at 25°C.

Uses of (E,E)-2,4-Hexadien-1-ol: It can react with diiodomethane to produce trans-2,3-methano-4(Z)-hexenol. This reaction will need reagent zinc, and the solvent diethyl ether. The reaction time is 15 hours with temperature of 35°C, and the yield is about 51%.

(E,E)-2,4-Hexadien-1-ol can react with diiodomethane to produce trans-2,3-methano-4(Z)-hexenol. This reaction will need reagent zinc, and the solvent diethyl ether

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful in contact with skin and if swallowed. What's more, it has the risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC\C=C\C=C\C
(2)InChI: InChI=1/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4+
(3)InChIKey: MEIRRNXMZYDVDW-MQQKCMAXBB