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Name |
Pentanoic acid,3-methyl-, (3R)- |
EINECS | N/A |
CAS No. | 16958-25-1 | Density | 0.947 g/cm3 |
PSA | 37.30000 | LogP | 1.50720 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H12O2 | Boiling Point | 199 °C at 760 mmHg |
Molecular Weight | 116.16 | Flash Point | 88.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pentanoicacid, 3-methyl-, (R)-;Valeric acid, 3-methyl-, (R)-(-)- (8CI);(-)-3-Methylpentanoic acid;(R)-3-Methylpentanoic acid;(R)-3-Methyl-valeric acid; |
Article Data | 32 |
The Pentanoic acid,3-methyl-, (3R)-, with the CAS registry number 16958-25-1, is also known as (R)-3-Methyl-valeric acid. This chemical's molecular formula is C6H12O2 and molecular weight is 116.16. What's more, its systematic name is (3R)-3-Methylpentanoic acid.
Physical properties of Pentanoic acid,3-methyl-, (3R)- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.425; (8)Molar Refractivity: 31.36 cm3; (9)Molar Volume: 122.5 cm3; (10)Polarizability: 12.43×10-24 cm3; (11)Surface Tension: 31.3 dyne/cm; (12)Density: 0.947 g/cm3; (13)Flash Point: 88.4 °C; (14)Enthalpy of Vaporization: 47.97 kJ/mol; (15)Boiling Point: 199 °C at 760 mmHg; (16)Vapour Pressure: 0.147 mmHg at 25°C.
Preparation: this chemical can be prepared by N-[3(R)-methylpentanoyl]-(1S,2R)-bornane-2,10-sultam at the ambient temperature. This reaction will need reagent LiOH and solvent tetrahydrofuran with the reaction time of 18 hours.
Uses of Pentanoic acid,3-methyl-, (3R)-: it can be used to produce (R)-3-methyl-pentan-1-ol at the temperature of 20 °C. It will need reagent LiAlH4 and solvent diethyl ether with the reaction time of 2 hours. The yield is about 93%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](C)CC
(2)InChI: InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1
(3)InChIKey: IGIDLTISMCAULB-RXMQYKEDSA-N