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CAS No.: | 16088-62-3 |
---|---|
Name: | (S)-(-)-Propylene oxide |
Article Data: | 57 |
Molecular Structure: | |
Formula: | C3H6O |
Molecular Weight: | 58.08 |
Synonyms: | 1-Naphthol glycidyl ether |
EINECS: | 240-241-0 |
Density: | 0.903 g/cm3 |
Melting Point: | -111.9°C |
Boiling Point: | 32.9 °C at 760 mmHg |
Flash Point: | -37 °C |
Solubility: | 40 g/100 mL (20 °C) in water |
Appearance: | Colorless to light yellow liquid |
Hazard Symbols: | F+,T |
Risk Codes: | 45-20/21/22-46-36/37/38-12 |
Safety: | 53-45 |
Transport Information: | UN 1280 3/PG 1 |
PSA: | 12.53000 |
LogP: | 0.40510 |
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The Oxirane, 2-methyl-,(2S)-, with the CAS registry number 16088-62-3, is also known as (S)-(-)-Propylene oxide. It belongs to the product categories of Chiral; Chiral Building Blocks; Glycidyl Compounds, etc. (Chiral); Oxiranes; Simple 3-Membered Ring Compounds; Synthetic Organic Chemistry; Chiral Compound. Its EINECS registry number is 240-241-0. This chemical's molecular formula is C3H6O and molecular weight is 58.08. What's more, both its IUPAC name and systematic name are the same which is called (2S)-2-Methyloxirane. It is used to produce chiral drugs.
Physical properties about Oxirane, 2-methyl-,(2S)- are: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.87; (8)ACD/KOC (pH 7.4): 27.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.53 Å2; (13)Index of Refraction: 1.398; (14)Molar Refractivity: 15.53 cm3; (15)Molar Volume: 64.2 cm3; (16)Surface Tension: 25.2 dyne/cm; (17)Density: 0.903 g/cm3; (18)Enthalpy of Vaporization: 27.35 kJ/mol; (19)Boiling Point: 32.9 °C at 760 mmHg; (20)Vapour Pressure: 572 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical have an extremely low flash point and boiling point, and gases that catch fire in contact with air. It is extremely flammable and it is harmful by inhalation, in contact with skin and if swallowed. This chemical is irritating to eyes, respiratory system and skin. It may cause cancer and may cause heritable genetic damage. Therefore, you should avoid exposuring and obtain special instructions before use it. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: O1[C@@H](C)C1
(2) InChI: InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1
(3) InChIKey: GOOHAUXETOMSMM-VKHMYHEASA-N