Registration Dossier
Registration Dossier
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EC number: 243-072-0 | CAS number: 19438-60-9
Reference substances
- IUPAC name:
- 5-methyl-octahydro-2-benzofuran-1,3-dione
Inventory
- EC number:
- 243-072-0
- EC name:
- Hexahydro-4-methylphthalic anhydride
- CAS number:
- 19438-60-9
- CAS number:
- 19438-60-9
Synonyms
- Names:
- 1,2-Cyclohexanedicarboxylic anhydride, 4-methyl-
- 1,3-Isobenzofurandione, hexahydro-5-methyl-
- 4-MHHPA
- 4-Methyl-¿1,2-cycl¿ohexanedi¿carboxyli¿c anhydri¿de
- 4-Methyl-1,2-cyclohexanedicarboxylic anhydride
- 5-Methyl hexahydro-1, 3-isobenzofurandione
- Hexahydro-4-methylphthalic anhydride
- Hexahydro-4-methylphthalic anhydride, mixture of cis and trans
- Methylhex¿ahydropht¿halic Anh¿ydride
- Methylhexahydrophthalic Anhydride
- Identifier:
- IUPAC name
- 5-methyl-octahydro-2-benzofuran-1,3-dione
- Identifier:
- IUPAC name
- 5-methylhexahydro-2-benzofuran-1,3-dione
- Identifier:
- common name
- 1,2-Cyclohexanedicarboxylic anhydride, 4-methyl-
- Identifier:
- common name
- 4-MHHPA
- Identifier:
- common name
- 4-Methyl-1,2-cyclohexanedicarboxylic anhydride
- Identifier:
- common name
- Hexahydro-4-methylphthalic anhydride
- Identifier:
- common name
- Hexahydro-4-methylphthalic anhydride, mixture of cis and trans
- Identifier:
- common name
- Methylhexahydrophthalic Anhydride
- Identifier:
- PubChem
- CID=86876
- Identifier:
- other: SMILES notation
- C1(=O)C2C(C(=O)O1)CC(C)CC2
- Identifier:
- other: Molecular formula
- C9 H12 O3
- Identifier:
- other: SMILES notation
- CC1CCC2C(C1)C(=O)OC2=O
- Identifier:
- other: InChl
- InChI=1/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3
- Identifier:
- other: InChl
- InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3
- Identifier:
- other: SMILES notation
- O=C1OC(=O)C2C1CCC(C2)C
- Reaction mass of (3aR,5R,7aS)-5-methylhexahydro-2-benzofuran-1,3-dione and (3aR,5S,7aS)-5-methylhexahydro-2-benzofuran-1,3-dione and (3aS,5R,7aR)-5-methylhexahydro-2-benzofuran-1,3-dione and (3aS,5S,7aR)-5-methylhexahydro-2-benzofuran-1,3-dione
Molecular and structural information
- Molecular formula:
- C9H12O3
- Molecular weight:
- 168.19
- SMILES notation:
- C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)OC2=O; C[C@H]1CC[C@H]2[C@@H](C1)C(=O)OC2=O; C[C@@H]1CC[C@@H]2[C@H](C1)C(=O)OC2=O; C[C@H]1CC[C@@H]2[C@H](C1)C(=O)OC2=O
- InChl:
- InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3/t5-,6+,7-/m1/s1; InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3/t5-,6-,7+/m0/s1; InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3/t5-,6-,7+/m1/s1; InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3/t5-,6+,7-/m0/s1
- Structural formula:
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