2-Methylpropyl 2-hydroxy-2-methylbut-3-enoate

Base Information

• Chemical Name: 2-Methylpropyl 2-hydroxy-2-methylbut-3-enoate
• CAS No.: 72531-53-4
• Molecular Formula: C9H16 O3
• Molecular Weight: 172.22
• DSSTox Substance ID: DTXSID90385131
• Nikkaji Number: J1.056.406I
• Mol file: 72531-53-4.mol

Synonyms:2-methylpropyl 2-hydroxy-2-methylbut-3-enoate;72531-53-4;SCHEMBL10880251;DTXSID90385131;Isobutyl=2-hydroxy-2-methyl-3-butenoate;2-Methylpropyl-2-hydroxy-2-methylbut-3-enoate;EN300-24417456;SR-01000391648;SR-01000391648-1

Chemical Property of 2-Methylpropyl 2-hydroxy-2-methylbut-3-enoate

Chemical Property:

• PSA: 46.53000
• LogP: 1.12260
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 175

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(=O)C(C)(C=C)O