Isooctyl hydrogen 2-butenedioate

Base Information

• Chemical Name: Isooctyl hydrogen 2-butenedioate
• CAS No.: 93858-88-9
• Molecular Formula: C12H20 O4
• Molecular Weight: 228.2848
• European Community (EC) Number: 299-322-4
• DSSTox Substance ID: DTXSID1067540
• Mol file: 93858-88-9.mol

Synonyms:Isooctyl hydrogen 2-butenedioate;EINECS 299-322-4;93858-88-9;2-Butenedioic acid (2Z)-, monoisooctyl ester;SCHEMBL1350270;DTXSID1067540;SCHEMBL11454640;30137-97-4;(E)-4-(6-methylheptoxy)-4-oxo-2-butenoic acid;A820735;(E)-4-(6-methylheptoxy)-4-oxidanylidene-but-2-enoic acid

Chemical Property of Isooctyl hydrogen 2-butenedioate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 228.13615911
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCCCOC(=O)C=CC(=O)O
• Isomeric SMILES: CC(C)CCCCCOC(=O)/C=C/C(=O)O