Basic information
- Name:
2(3H)-Furanone,dihydro-5-(hydroxymethyl)-, (5S)-
- Superlist Name:
- (S)-5-Hydroxymethyldihydrofuran-2-one
- CAS No.:
32780-06-6
- Molecular Structure:
- Formula:
- C5H8O3
- Molecular Weight:
- 116.12
- 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;
- Density:
- 1.224 g/cm3
- Boiling Point:
- 308.9 °C at 760 mmHg
- Flash Point:
- 146 °C
- Appearance:
- Colorless to light yellow liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 23-24/25 Details
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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
