-
Name
METHYL (2S)-GLYCIDATE
- EINECS
- CAS No. 118712-39-3
- Article Data14
- CAS DataBase
- Density 1.247 g/cm3
- Solubility
- Melting Point
- Formula C4H6O3
- Boiling Point 97.45 °C at 760 mmHg
- Molecular Weight 102.09
- Flash Point 26.199 °C
- Transport Information
- Appearance
- Safety 26-36
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms (S)-Methyl glycidate;Oxiranecarboxylicacid, methyl ester, (2S)- (9CI);Oxiranecarboxylic acid, methyl ester, (S)-;(S)-Glycidic acid methyl ester;
- PSA 38.83000
- LogP -0.44180
Methyl (2S)-2,3-epoxypropanoate Specification
The 2-Oxiranecarboxylicacid, methyl ester, (2S)-, with the CAS registry number 118712-39-3, has the systematic name of methyl (2S)-oxirane-2-carboxylate. And the molecular formula of this chemical is C4H6O3. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 2-Oxiranecarboxylicacid, methyl ester, (2S)- are as following: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.83 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 21.779 cm3; (15)Molar Volume: 81.895 cm3; (16)Polarizability: 8.634×10-24cm3; (17)Surface Tension: 38.766 dyne/cm; (18)Density: 1.247 g/cm3; (19)Flash Point: 26.199 °C; (20)Enthalpy of Vaporization: 33.694 kJ/mol; (21)Boiling Point: 97.45 °C at 760 mmHg; (22)Vapour Pressure: 41.693 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)[C@@H]1CO1
(2)InChI: InChI=1/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3/t3-/m0/s1
(3)InChIKey: YKNYRRVISWJDSR-VKHMYHEABW
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