2,2-Dimethyl-1,3-dioxane-5-carboxylic acid

Base Information

• Chemical Name: 2,2-Dimethyl-1,3-dioxane-5-carboxylic acid
• CAS No.: 162635-09-8
• Molecular Formula: C7H12O4
• Molecular Weight: 160.17
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30570246
• Wikidata: Q82457631
• Mol file: 162635-09-8.mol

Synonyms:2,2-DIMETHYL-1,3-DIOXANE-5-CARBOXYLIC ACID;162635-09-8;1,3-Dioxane-5-carboxylicacid,2,2-dimethyl-(9CI);SCHEMBL5532753;DTXSID30570246;dimethyl-1,3-dioxane-5-carboxylic acid;CS-0336954;1,3-dioxane-5-carboxylic acid,2,2-dimethyl-;EN300-179149;1,3-Dioxane-5-carboxylic acid, 2,2-dimethyl-;2,2-DIMETHYL-1,3-DIOXANE-5-CARBOXYLICACID

Chemical Property of 2,2-Dimethyl-1,3-dioxane-5-carboxylic acid

Chemical Property:

• Boiling Point: 266.3±35.0 °C(Predicted)
• PKA: 3.89±0.40(Predicted)
• PSA: 55.76000
• Density: 1.150±0.06 g/cm3(Predicted)
• LogP: 0.47010
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

2,2-Dimethyl-1,3-dioxane-5-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCC(CO1)C(=O)O)C