(2R,3R)-Methyl 2-amino-3-methylpentanoate hydrochloride

Base Information

• Chemical Name: (2R,3R)-Methyl 2-amino-3-methylpentanoate hydrochloride
• CAS No.: 8002-72-0
• Molecular Formula: C8H12S2
• Molecular Weight: 172.31
• European Community (EC) Number: 616-802-4
• Mol file: 8002-72-0.mol

Synonyms:8002-72-0;167223-42-9;Onion oleoresin;methyl (2R,3R)-2-amino-3-methylpentanoate;hydrochloride;(2R,3R)-Methyl 2-amino-3-methylpentanoate hydrochloride;H-D-Ile-OMe.HCl;UNII-4P3VLD98FL;SCHEMBL4284560;Methyl D-isoleucinate hydrochloride;CS-0375715

Chemical Property of (2R,3R)-Methyl 2-amino-3-methylpentanoate hydrochloride

Chemical Property:

• Appearance/Colour: light yellow to breen essential oil
• Refractive Index: n20/D 1.5534
• Boiling Point: 164 °C at 760 mmHg
• Flash Point: 178 °C
• PSA: 52.32000
• Density: 1.07 g/mL at 25 °C
• LogP: 2.03510
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

Onion oil, Dutch ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: CCC(C)C(C(=O)OC)N.Cl
• Isomeric SMILES: CC[C@@H](C)[C@H](C(=O)OC)N.Cl
• Description: Herbaceous plant originally from the Middle East, but today widespread throughout the world because of the large consumption of the edible bulb, the only part used. The stalk can reach approximately 1 m (39 in.) in height. The bulb consists of several concentric tunics. Onion has a strong, pungent, lasting odor and a characteristic onion flavor. The essential oil is obtained by distillation of the bulbs with yields of about 0.02%. The physical-chemical constants vary widely, depending on the origin of the plant. The oil is a yellowish liquid with a characteristic onion odor. Main constituents of the oil are d-n-propyl disulfide and methyl-n-propyl disulfide. The derivatives are oleoresin, fluid concentrated water extract, and the fluid extract. The first two derivatives are obtained by special manufacturing processes from thermally pretreated bulbs in order to enhance some flavor top notes, as well as the flavoring strength.
• Physical properties: The oil is a clear, amber-yellow-to-amber-orange liquid. It is soluble in most fixed oils, mineral oil and alcohol. It is insoluble in propylene glycol and glycerin.