4,5,6,7-tetrahydro-5-methyl-1,3-Isobenzofurandione

Base Information

• Chemical Name: 4,5,6,7-tetrahydro-5-methyl-1,3-Isobenzofurandione
• CAS No.: 34090-76-1
• Molecular Formula: C9H12O3
• Molecular Weight: 168.19
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID6058712
• Nikkaji Number: J169.040J
• ChEMBL ID: CHEMBL4630649
• Mol file: 34090-76-1.mol

Synonyms:4,5,6,7-tetrahydro-5-methyl-1,3-Isobenzofurandione;5-methyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;19438-59-6;EINECS 251-823-9;SCHEMBL346371;CHEMBL4630649;DTXSID6058712;XJMUIXMLTVKITM-UHFFFAOYSA-N;AKOS006275652;FT-0766851;4-methyl-3,4,5,6-tetrahydrophthalic anhydride;4-methylcyclohexene-1,2-dicarboxylic anhydride;EC 251-823-9;4(R,S)-methylcyclohexene-1,2-dicarboxylic anhydride

Chemical Property of 4,5,6,7-tetrahydro-5-methyl-1,3-Isobenzofurandione

Chemical Property:

• Vapor Pressure: 0.00184mmHg at 25°C
• Melting Point: -29 °C
• Refractive Index: n20/D 1.477(lit.)
• Boiling Point: 120 °C (0.7501 mmHg)
• PKA: 4.2[at 20 ℃]
• Flash Point: >230 °F
• PSA: 43.37000
• Density: 1.162 g/mL at 25 °C(lit.)
• LogP: 1.12220
• Water Solubility.: 9.5g/L at 20℃
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 288

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 41-42/43
• Safety Statements: 22-24-26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2=C(C1)C(=O)OC2=O