-
Name
METHYL (S)-(-)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE
- EINECS
- CAS No. 42038-75-5
- Article Data5
- CAS DataBase
- Density 1.125g/cm3
- Solubility
- Melting Point 59-62oC
- Formula C13H20 O4
- Boiling Point 378.435oC at 760 mmHg
- Molecular Weight 240.299
- Flash Point 138.885oC
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Cyclopentene-1-heptanoicacid, 3-hydroxy-5-oxo-, methyl ester, (S)-; Methyl (S)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate
- PSA 63.60000
- LogP 1.76010
Methyl (S)-(-)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate Chemical Properties
Molecular Structure of Methyl (S)-(-)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate (CAS No.42038-75-5):
Molecular Formula: C13H20O4
Molecular Weight: 240.30
Systematic Name: Methyl 7-[(3S)-3-hydroxy-5-oxocyclopent-1-en-1-yl]heptanoate
CAS No: 42038-75-5
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 9
Polar Surface Area: 63.6 Å2
Index of Refraction: 1.504
Molar Refractivity: 63.278 cm3
Molar Volume: 213.581 cm3
Surface Tension: 44.208 dyne/cm
Density: 1.125 g/cm3
Flash Point: 138.885 °C
Enthalpy of Vaporization: 72.454 kJ/mol
Boiling Point: 378.435 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C13H20O4/c1-17-13(16)7-5-3-2-4-6-10-8-11(14)9-12(10)15/h8,11,14H,2-7,9H2,1H3/t11-/m1/s1
InChIKey: PQKUWAVOSCVDCT-LLVKDONJBT
Std. InChI: InChI=1S/C13H20O4/c1-17-13(16)7-5-3-2-4-6-10-8-11(14)9-12(10)15/h8,11,14H,2-7,9H2,1H3/t11-/m1/s1
Std. InChIKey: PQKUWAVOSCVDCT-LLVKDONJSA-N
Product Categories: Chiral Building Blocks;Esters;Organic Building Blocks
Methyl (S)-(-)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate Safety Profile
WGK Germany: 3
Methyl (S)-(-)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate Specification
Methyl (S)-(-)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate (CAS No.42038-75-5), it also can be called 1-Cyclopentene-1-heptanoic acid, 3-hydroxy-5-oxo-, methyl ester, (3S)- ; Methyl 7-[(3S)-3-hydroxy-5-oxocyclopent-1-en-1-yl]heptanoate .
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