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2-Furanmethanol,a-methyl-, acetate, (aS)- (9CI)

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Name

2-Furanmethanol,a-methyl-, acetate, (aS)- (9CI)

EINECS N/A
CAS No. 85828-09-7 Density 1.085 g/cm3
PSA 33.37000 LogP 1.33290
Solubility N/A Melting Point N/A
Formula C6H8O2 Boiling Point 162.5 °C at 760 mmHg
Molecular Weight 154.166 Flash Point 34.6 °C
Transport Information N/A Appearance clear yellow liquid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 85828-09-7 ((S)-(-)-1-(2-FURYL)ETHANOL) Hazard Symbols N/A
Synonyms

2-Furanmethanol,a-methyl-, acetate, (S)-;(S)-1-(2-Furyl)ethanol acetate;(S)-1-(2-Furyl)ethylacetate;

Article Data 11

2-Furanmethanol,a-methyl-, acetate, (aS)- (9CI) Specification

The 2-Furanmethanol,a-methyl-, acetate, (aS)- (9CI), also known as (S)-(-)-1-(2-Furyl)ethanol, is an organic compound with the formula C6H8O2. It belongs to the product categories of Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds. With the CAS registry number 85828-09-7, its systematic name is (1S)-1-furan-2-ylethanol. It is a clear yellow liquid.

Physical properties of 2-Furanmethanol,a-methyl-, acetate, (aS)- (9CI): (1)ACD/LogP: 0.54; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.485; (6)Molar Refractivity: 29.63 cm3; (7)Molar Volume: 103.2 cm3; (8)Surface Tension: 36.1 dyne/cm; (9)Density: 1.085 g/cm3; (10)Flash Point: 34.6 °C; (11)Enthalpy of Vaporization: 42.2 kJ/mol; (12)Boiling Point: 162.5 °C at 760 mmHg; (13)Vapour Pressure: 1.49 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](c1occc1)C
(2)InChI: InChI=1/C6H8O2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3/t5-/m0/s1
(3)InChIKey: UABXUIWIFUZYQK-YFKPBYRVBZ

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