(R)-2-Hydroxymethylhexanoic acid

Base Information

• Chemical Name: (R)-2-Hydroxymethylhexanoic acid
• CAS No.: 668485-40-3
• Molecular Formula: C7H14O3
• Molecular Weight: 146.18
• DSSTox Substance ID: DTXSID40468382
• Nikkaji Number: J2.557.776K
• Wikidata: Q72485263
• Mol file: 668485-40-3.mol

Synonyms:668485-40-3;(R)-2-(hydroxymethyl)hexanoic acid;(R)-2-Hydroxymethylhexanoic acid;(2R)-2-(hydroxymethyl)hexanoic Acid;(R)-2-HYDROXYMETHYL-HEXANOIC ACID;(R)-2-(Hydroxymethyl)hexanoicacid;Hexanoic acid, 2-(hydroxymethyl)-, (2R)-;SCHEMBL3185347;DTXSID40468382;ICBHDGOFKNWYJO-ZCFIWIBFSA-N;CFB25816;MFCD08064296;(R)-2-Butyl-3-hydroxypropionic acid;AKOS006287645;(S)-2-(hydroxymethyl)hexanoic acid ee;AC-9521;AS-37881;(2R)-2-HYDROXYMETHYL-HEXANOIC ACID;A8993;CS-0199932

Chemical Property of (R)-2-Hydroxymethylhexanoic acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.462
• Boiling Point: 273.598 °C at 760 mmHg
• PKA: 4.36±0.21(Predicted)
• Flash Point: 133.514 °C
• PSA: 57.53000
• Density: 1.07 g/cm³
• LogP: 0.86970
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99.3% ^*data from raw suppliers

(R)-2-Hydroxymethyl-hexanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CO)C(=O)O
• Isomeric SMILES: CCCC[C@H](CO)C(=O)O