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CAS No.: | 57203-01-7 |
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Name: | (S)-(+)-Tetrahydrofurfuryl alcohol |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C5H10O2 |
Molecular Weight: | 102.133 |
Synonyms: | (S)-Tetrahydrofurfurylalcohol; |
EINECS: | 202-625-6 |
Density: | 1.038g/cm3 |
Boiling Point: | 176.8 °C at 760 mmHg |
Flash Point: | 83.9 °C |
Hazard Symbols: | R36:Irritating to eyes.; |
Risk Codes: | R36 |
PSA: | 29.46000 |
LogP: | 0.15770 |
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The (S)-(+)-Tetrahydrofurfuryl alcohol, with CAS registry number 57203-01-7, belongs to the following product categories: (1)Alcohols, Hydroxy Esters and Derivatives; (2)Chiral Compounds. It has the systematic name of (2S)-tetrahydrofuran-2-ylmethanol. And the chemical formula of this chemical is C5H10O2.
Physical properties of (S)-(+)-Tetrahydrofurfuryl alcohol: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.68; (8)ACD/KOC (pH 7.4): 14.68; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 26.28 cm3; (15)Molar Volume: 98.3 cm3; (16)Polarizability: 10.41×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.038 g/cm3; (19)Flash Point: 83.9 °C; (20)Enthalpy of Vaporization: 48.09 kJ/mol; (21)Boiling Point: 176.8 °C at 760 mmHg; (22)Vapour Pressure: 0.326 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@H]1OCCC1
(2)InChI: InChI=1/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m0/s1
(3)InChIKey: BSYVTEYKTMYBMK-YFKPBYRVBG
(4)Std. InChI: InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m0/s1
(5)Std. InChIKey: BSYVTEYKTMYBMK-YFKPBYRVSA-N