CAS No.16958-25-1,(R)-3-METHYL-PENTANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16958-25-1
Name:	(R)-3-METHYL-PENTANOIC ACID
Article Data:	32

Formula:	C₆H₁₂O₂
Molecular Weight:	116.16
Synonyms:	Pentanoicacid, 3-methyl-, (R)-;Valeric acid, 3-methyl-, (R)-(-)- (8CI);(-)-3-Methylpentanoic acid;(R)-3-Methylpentanoic acid;(R)-3-Methyl-valeric acid;
Density:	0.947 g/cm³
Boiling Point:	199 °C at 760 mmHg
Flash Point:	88.4 °C
PSA:	37.30000
LogP:	1.50720

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Specification

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^-24cm³; (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.

Pentanoic acid,3-methyl-, (3R)- can be prepared by N-[3(R)-methylpentanoyl]-(1S,2R)-bornane-2,10-sultam at the ambient temperature

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%.

Pentanoic acid,3-methyl-, (3R)- can be used to produce (R)-3-methyl-pentan-1-ol at the temperature of 20 °C

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