-
Name
(S)-(-)-4-(METHOXYMETHYL)-1,3-DIOXOLAN-2-ONE
- EINECS
- CAS No. 135682-18-7
- Article Data75
- CAS DataBase
- Density 1.187 g/cm3
- Solubility
- Melting Point
- Formula C5H8O4
- Boiling Point 257.4 °C at 760 mmHg
- Molecular Weight 132.116
- Flash Point 112.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,3-Dioxolan-2-one,4-(methoxymethyl)-, (S)-;(S)-(-)-4-(Methoxymethyl)-1,3-dioxolan-2-one;(S)-4-(Methoxymethyl)-1,3-dioxolan-2-one;
- PSA 44.76000
- LogP 0.16820
1,3-Dioxolan-2-one,4-(methoxymethyl)-, (4S)- Specification
The 1,3-Dioxolan-2-one,4-(methoxymethyl)-, (4S)- is an organic compound with the formula C5H8O4. The systematic name of this chemical is (4S)-4-(methoxymethyl)-1,3-dioxolan-2-one. With the CAS registry number 135682-18-7, it is also named as (S)-3-Methoxy-1,2-propanediol cyclic carbonate. The product's categories are Chiral Building Blocks; Dioxanes & Dioxolanes; Dioxolanes; Glycidyl Compounds, etc. (Chiral); Synthetic Organic Chemistry. Besides, it is , which should be stored in a closed cool and dry place.
Physical properties about 1,3-Dioxolan-2-one,4-(methoxymethyl)-, (4S)- are: (1)ACD/LogP: -1.00; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.8; (7)ACD/KOC (pH 7.4): 6.8; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 44.76 Å2; (11)Index of Refraction: 1.421; (12)Molar Refractivity: 28.24 cm3; (13)Molar Volume: 111.2 cm3; (14)Polarizability: 11.19×10-24cm3; (15)Surface Tension: 32 dyne/cm; (16)Density: 1.187 g/cm3; (17)Flash Point: 112.8 °C; (18)Enthalpy of Vaporization: 49.5 kJ/mol; (19)Boiling Point: 257.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0145 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O[C@@H](COC)CO1
(2)InChI: InChI=1/C5H8O4/c1-7-2-4-3-8-5(6)9-4/h4H,2-3H2,1H3/t4-/m0/s1
(3)InChIKey: DNSGQMOSYDHNHO-BYPYZUCNBO
(4)Std. InChI: InChI=1S/C5H8O4/c1-7-2-4-3-8-5(6)9-4/h4H,2-3H2,1H3/t4-/m0/s1
(5)Std. InChIKey: DNSGQMOSYDHNHO-BYPYZUCNSA-N
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