DL-Leucic acid supplier | CasNO.498-36-2

Name
DL-LEUCIC ACID
EINECS 233-677-8
CAS No. 498-36-2
Article Data113
CAS DataBase
Density 1.097 g/cm³
Solubility Soluble in water. (82 g/L) at 25°C.
Melting Point 78-80 °C(lit.)
Formula C₆H₁₂O₃
Boiling Point 251.314 °C at 760 mmHg
Molecular Weight 132.159
Flash Point 120.052 °C
Transport Information
Appearance
Safety 36/37/39-26
Risk Codes 36/37/38-21
Molecular Structure
Hazard Symbols Xn
Synonyms Leucic acid(6CI);Valeric acid, 2-hydroxy-4-methyl- (7CI,8CI);alpha-Hydroxyisocaproic acid;2-Hydroxy-4-methylpentanoicacid;2-Hydroxyisohexanoic acid;DL-2-Hydroxy-4-methylpentanoic acid;DL-2-Hydroxyisocaproic acid;DL-a-Hydroxyisocaproic acid;Leucinic acid;
PSA 57.53000
LogP 0.47800

DL-Leucic acid Specification

The Pentanoic acid,2-hydroxy-4-methyl-, with CAS registry number 498-36-2, has the systematic name of 2-hydroxy-4-methylpentanoic acid. And its IUPAC name is the same one. And the chemical formula of this chemical is C₆H₁₂O₃. What's more, it has the related registry number of 54641-21-3 (mono-hydrochloride salt).

Physical properties of Pentanoic acid,2-hydroxy-4-methyl-: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 57.53 Å²; (11)Index of Refraction: 1.458; (12)Molar Refractivity: 32.863 cm³; (13)Molar Volume: 120.461 cm³; (14)Polarizability: 13.028×10^-24cm³; (15)Surface Tension: 40.644 dyne/cm; (16)Enthalpy of Vaporization: 56.767 kJ/mol; (17)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)CC(C(=O)O)O
(2)InChI: InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
(3)InChIKey: LVRFTAZAXQPQHI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
(5)Std. InChIKey: LVRFTAZAXQPQHI-UHFFFAOYSA-N

Product Name

DL-LEUCIC ACID

DL-Leucic acid Specification

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