5-Methyl-7,7a-dihydroisobenzofuran-1,3(3aH,6H)-dione
Basic information
- CAS
19438-64-3- Standard SMILES
CC1=CC2C(=O)OC(=O)C2CC1- InChIKey
MWSKJDNQKGCKPA-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 5-Methyl-7,7a-dihydroisobenzofuran-1,3(3aH,6H)-dione
- IUPAC
- 6-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione
- English name
- Methyl tetrahydrophthalic anhydride
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
19438-64-35-Methyl-7,7a-dihydroisobenzofuran-1,3(3aH,6H)-dioneMethyltetrahydrophthalicanhydride6-methyl-3a,4,5,7a-tetrahydroisobenzofuran-1,3-dione6-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dioneMFCD008707686-methyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran-1,3-dione4-Methyl-delta-3-tetrahydrophthalic anhydrideSCHEMBL216911DTXSID5058692MWSKJDNQKGCKPA-UHFFFAOYSA-NAKOS006273444
Show more names
3a-Methyl-5,6-dihydro-4H-isobenzofuran-1,3-dioneJACS-19438-64-3Methyl tetrahydrophtMethyl tetrahydrophthalic anhydrideMTHPA，Methyltetrahydrophthalic anhydrideMTHPA,Tetrahydromethyl-1,3-isobenzofurandione5-Methyl-7,7a-dihydroisobenzofuran-1,3(3aH,6H)1,3-Isobenzofurandione, 3a,4,5,7a-tetrahydro-6-Methyl-
AS-12153NS00026340F319052
Database identifiers
- CAS
19438-64-3- PubChem CID
- 13608902
- DTXSID
DTXSID5058692- EC Number
- 606-311-3
- Nikkaji
- J169.049C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 308.9 · 308.9±41.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h4,6-7H,2-3H2,1H3
- InChIKey
- MWSKJDNQKGCKPA-UHFFFAOYSA-N
- SMILES
- C1(=O)C2C(CCC(C)=C2)C(=O)O1
- CAS DataBase Reference
- 19438 · 19438-64-3(CAS DataBase Reference)
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932990090
Chemistry & industry
Applications
UsesMethyl tetrahydrophthalic anhydride can be used for unsaturated polyester resin, epoxy resin curing agent, pesticide intermediate, potting of dry-type transformer, etc.
Upstream & downstream products
Upstream raw materials
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