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(S)-5-Hydroxymethyldihydrofuran-2-one

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Name

(S)-5-Hydroxymethyldihydrofuran-2-one

EINECS N/A
CAS No. 32780-06-6 Density 1.224 g/cm3
PSA 46.53000 LogP -0.31570
Solubility N/A Melting Point 72-74 °C
Formula C5H8O3 Boiling Point 308.9 °C at 760 mmHg
Molecular Weight 116.117 Flash Point 146 °C
Transport Information N/A Appearance Colorless to light yellow liquid
Safety 23-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 32780-06-6 ((S)-5-Hydroxymethyldihydrofuran-2-one) Hazard Symbols IrritantXi
Synonyms

2(3H)-Furanone,dihydro-5-(hydroxymethyl)-, (S)- (8CI);(S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one;(S)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone;5S-(+)-Hydroxymethyl-g-butyrolactone;S-g-(Hydroxymethyl)-g-butyrolactone;(5S)-5-(hydroxymethyl)dihydrofuran-2(3H)-one;

Article Data 81

(S)-5-Hydroxymethyldihydrofuran-2-one Specification

The 2(3H)-Furanone,dihydro-5-(hydroxymethyl)-, (5S)-, with CAS registry number 32780-06-6, belongs to the following product categories: (1)Chiral; (2)Chiral Reagent. It has the systematic name of (5S)-5-(hydroxymethyl)dihydrofuran-2(3H)-one. This chemical is a kind of Colorless to light yellow liquid. And it should be stored at the temperature of 0-6°C.

Physical properties of 2(3H)-Furanone,dihydro-5-(hydroxymethyl)-, (5S)-: (1)ACD/LogP: -1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.8; (4)ACD/LogD (pH 7.4): -1.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.49; (8)ACD/KOC (pH 7.4): 2.49; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 26.41 cm3; (15)Molar Volume: 94.8 cm3; (16)Polarizability: 10.47×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 146 °C; (20)Enthalpy of Vaporization: 63.73 kJ/mol; (21)Boiling Point: 308.9 °C at 760 mmHg; (22)Vapour Pressure: 6.02E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2(3H)-Furanone,dihydro-5-(hydroxymethyl)-, (5S)- irritates to eyes, respiratory system and skin. When use it, do not breathe vapour and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O[C@H](CO)CC1
(2)InChI: InChI=1/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m0/s1
(3)InChIKey: NSISJFFVIMQBRN-BYPYZUCNBM
(4)Std. InChI: InChI=1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m0/s1
(5)Std. InChIKey: NSISJFFVIMQBRN-BYPYZUCNSA-N

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