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2-Hexen-1-ol, (2Z)-

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Name

2-Hexen-1-ol, (2Z)-

EINECS 213-190-7
CAS No. 928-94-9 Density 0.843 g/cm3
Solubility Melting Point
Formula C6H12O Boiling Point 159.6 °C at 760 mmHg
Molecular Weight 100.16 Flash Point 61.7 °C
Transport Information UN 1987 Appearance colorless liquid
Safety 16-37/39-36-26 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 928-94-9 (2-Hexen-1-ol, (2Z)-) Hazard Symbols
Synonyms

2-Hexen-1-ol,(Z)- (8CI);(2Z)-2-Hexen-1-ol;(Z)-1-Hydroxy-2-hexene;(Z)-2-Hexen-1-ol;(Z)-2-Hexenol;cis-2-Hexen-1-ol;cis-b,g-Hexenol;

 

2-Hexen-1-ol, (2Z)- Specification

This chemical is called 2-Hexen-1-ol, (2Z)-, and its systematic name is (2Z)-hex-2-en-1-ol. With the CAS registry number of 928-94-9, its product categories are Alphabetical Listings; Flavors and Fragrances; G-H; Acyclic; Alkenes; Organic Building Blocks. In addition, this chemical is incompatible with strong oxidizing agents, strong acids. Keep it sealed in the cool and dry place, away from oxides.

Other characteristics of the 2-Hexen-1-ol, (2Z)- can be summarised as followings: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.7; (6)ACD/BCF (pH 7.4): 12.7; (7)ACD/KOC (pH 5.5): 214.59; (8)ACD/KOC (pH 7.4): 214.59; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 31.43 cm3; (15)Molar Volume: 118.6 cm3; (16)Polarizability: 12.46×10-24cm3; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 0.843 g/cm3; (19)Flash Point: 61.7 °C; (20)Enthalpy of Vaporization: 46.15 kJ/mol; (21)Boiling Point: 159.6 °C at 760 mmHg; (22)Vapour Pressure: 0.873 mmHg at 25°C.

Production method of this chemical: The 2-Hexen-1-ol, (2Z)- could be obtained by the reactant of 2-(1-chlorobutyl)oxirane. This reaction needs the reagent of lithium powder, and the solvent of tetrahydrofuran. The yield is 85 %.

Uses of this chemical: The 2-Hexen-1-ol, (2Z)- could react with tributyl(methylthio)phosphonium tetrafluoroborate, and obtain the 1-methylsulfanyl-hex-2-ene. This reaction needs the reagent of 1,8-diazabicyclo<5.4.0>undec-7-ene, and the solvent of benzene. The yield is 33 %. In addition, this reaction should be taken for 48 hours at ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure: 
1.SMILES: OC\C=C/CCC
2.InChI: InChI=1/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4-
3.InChIKey: ZCHHRLHTBGRGOT-PLNGDYQABY

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