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Reference substances

Reference substances

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General information

Inventory

EC number:
243-072-0
EC name:
Hexahydro-4-methylphthalic anhydride
CAS number:
19438-60-9

No inventory information available

Reference substance information

IUPAC name:
5-methyl-octahydro-2-benzofuran-1,3-dione
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-cycl​ohexanedi​carboxyli​c anhydri​de
5-Methyl ​hexahydro​-1, 3-iso​benzofura​ndione
Hexahydro-4-methylphthalic anhydride
Hexahydro-4-methylphthalic anhydride, mixture of cis and trans
Methylhex¿ahydropht¿halic Anh¿ydride
Methylhex​ahydropht​halic Anh​ydride
Identifier:
CAS number
19438-60-9
Identifier:
IUPAC name
5-methylhexahydro-2-benzofuran-1,3-dione
Identifier:
common name
1,2-Cyclohexanedicarboxylic anhydride, 4-methyl-
Identifier:
common name
4-Methyl-​1,2-cycl​ohexanedi​carboxyli​c anhydri​de
Identifier:
common name
Hexahydro-4-methylphthalic anhydride
Identifier:
common name
Hexahydro-4-methylphthalic anhydride, mixture of cis and trans
Identifier:
common name
Methylhex​ahydropht​halic Anh​ydride
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

CAS information

CAS number:
19438-60-9

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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:
Chemical structure