Cas no 85-43-8 (1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione)

1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione structure
85-43-8 structure
Product Name:1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione
CAS No:85-43-8
MF:C8H8O3
MW:152.147322654724
MDL:MFCD00005916
CID:34345
PubChem ID:6810
Update Time:2024-10-26

1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 3a,4,7,7a-Tetrahydroisobenzofuran-1,3-dione
    • CIS-1,2,3,6-TETRAHYDROPHTHALIC ANHYDRIDE
    • 1,2,3,6-Tetrahydrophthalic acid anhydride
    • 1,2,3,6-Tetrahydrophthalic Anhydride
    • Tetrahydrophthalic anhydride
    • THPA
    • Rikacid TH
    • 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-
    • Tetrahydroftalanhydrid
    • Memtetrahydro phtalic anhydride
    • Tetrahydrophthalic acid anhydride
    • Butadiene-maleic anhydride adduct
    • 4-Cyclohexene-1,2-dicarboxylic acid anhydride
    • 4-Cyclohexene-1,2-dicarboxylic anhydride
    • Maleic anhydride adduct of butadiene
    • Anhydrid kyseliny tetrahydroftalove
    • 1,3-Isobenzofurandione, tetrahydro-
    • Tetrahydroftalanhydr
    • .delta.-(sup4)-Tetrahydrophthalic anhydride
    • Tetrahydrophthalsaeureanhydrid
    • Delta 4-Tetrahydrophthalic anhydride
    • Tetrahydrophthalic Anhydride(THPA);3a,4,7,7a-Tetrahydroisobenzofuran-1,3-dione;3a,4,7,7a-Tetrahydroisobenzofuran-1,3-dione
    • 4-Cyclohexene-1 2-dicarboxylic anhydride (8CI)
    • HSDB 846
    • Epiclon B 570H
    • 1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione
    • Anhydrid kyseliny tetrahydroftalove [Czech]
    • 1 2 3 6-Tetrahydrophthalic anhydride
    • 4,7,3a,7a-tetrahydroisobenzofuran-1,3-dione
    • D77853
    • F0001-2250
    • 85-43-8
    • NCGC00259759-01
    • FT-0623919
    • 3a,4,7,7a-Tetrahydro-isobenzofuran-1,3-dione
    • 3a 4 7 7a-Tetrahydro-1 3-isobenzofurandione
    • NSC292900
    • Rikacid THPA
    • BRN 0082340
    • NSC82642
    • NSC-292900
    • DTXCID306516
    • Phthalic anhydride, 1,2,3,6-tetrahydro-
    • AC-19634
    • HK 019
    • NSC-82642
    • trans-1,3,6-Tetrahydrophthalic anhydride
    • .DELTA.4-Tetrahydrophthalic anhydride
    • Tetrahydroftalanhydrid [Czech]
    • EINECS 201-605-4
    • EINECS 247-570-9
    • LS-166032
    • Cyclohex-4-en-1,2-dicarboxylic acid anhydride
    • 1, 3a,4,7,7a-tetrahydro-
    • Q26840954
    • 1,3-isobenzofurandiona, 3a, 4,7,7 a-tetrahidro-
    • SCHEMBL169100
    • BBL011743
    • Tox21_202210
    • 4-Cyclohexene-1, trans-
    • CS-W019332
    • MFCD00065335
    • CHEMBL8001
    • 5-17-11-00134 (Beilstein Handbook Reference)
    • CHEBI:180650
    • WLN: T56 BVOV GUTJ
    • 4-Cyclohexene-12-dicarboxylic anhydride (8CI)
    • KBH 1098
    • 1,3,6-Tetrahydrophthalic anhydride
    • AB-131/40207535
    • STL163382
    • EC 201-605-4
    • cis-DELTA4-Tetrahydrophthalic Anhydride
    • .delta.-4-Tetrahydrophthalic anhydride
    • delta-(sup4)-Tetrahydrophthalic anhydride
    • CAS-85-43-8
    • 3a,4,7,7a-tetrahydro-1,3-isobenzofurandione
    • NSC 82642
    • Q-201815
    • AI3-22626
    • AKOS000119224
    • Cyclohexene-4 5-dicarboxylic anhydride
    • UN 2698 (Salt/Mix)
    • Phthalic anhydride,2,3,6-tetrahydro-
    • 1 2 3 6-Tetrahydrophthalic acid anhydride
    • delta(4)-Tetrahydrophthalic anhydride
    • B 570H
    • delta(sup 4)-Tetrahydrophthalic anhydride
    • NCIOpen2_001003
    • 1236-Tetrahydrophthalic acid anhydride
    • 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione
    • FT-0631398
    • EN300-18012
    • 26266-63-7
    • 1,3,6-Tetrahydrophthalic acid anhydride
    • 1, 3a,4,7,7a-tetrahydro-, trans-
    • 4-Cyclohexene-1 2-dicarboxylic acid anhydride
    • 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione #
    • NCGC00249188-01
    • LS-57502
    • FT-0675042
    • DTXSID3026516
    • 3a,4,7,7a-Tetrahydro-1,3-isobenzofurandione (ACI)
    • 4-Cyclohexene-1,2-dicarboxylic anhydride (8CI)
    • 1,3-Isobenzofurandione, hexahydro-5-methylene-
    • Anhydride 70
    • Cyclohexene-4,5-dicarboxylic anhydride
    • Hexahydro-5-methylene-1,3-isobenzofurandione
    • Maleic anhydride-butadiene adduct
    • Tetrahydroisobenzofuran-1,3-dione
    • Δ4-Tetrahydrophthalic anhydride
    • AKOS016352935
    • (3aR,7aS)-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
    • (3Ar,7ar)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
    • NS00008366
    • DB-050508
    • DB-057412
    • MDL： MFCD00005916
    • Inchi： 1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2
    • InChI Key： KMOUUZVZFBCRAM-UHFFFAOYSA-N
    • SMILES： O=C1C2C(CC=CC2)C(=O)O1

Computed Properties

  • Exact Mass: 152.04700
  • Monoisotopic Mass: 152.047
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 218
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.4
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 0.8

Experimental Properties

  • Color/Form: This product is white crystal
  • Density: 1,375 g/cm3
  • Melting Point: 101-102°C
  • Boiling Point: 195°C 5mm
  • Flash Point: 157°C
  • Refractive Index: 1.4810 (estimate)
  • PSA: 43.37000
  • LogP: 0.65220
  • Solubility: Soluble in general solvents, slightly soluble in petroleum ether

1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione Security Information

  • Hazardous Material transportation number：2698
  • Hazard Category Code： 41-42/43-52/53
  • Safety Instruction： S26; S36/37/39
  • HazardClass：8
  • PackingGroup：III
  • Safety Term：8
  • Packing Group：III
  • Risk Phrases：R41

1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione Pricemore >>

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1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione Production Method

Production Method 1

Reaction Conditions
1.1 6 h, 100 - 105 °C; cooled
Reference
Synthesis of 4-chlorophthalic anhydride with D-A cyclization and aromatization
Sun, Yifei; et al, Huagong Jinzhan, 2010, 29(10), 1963-1968

Production Method 2

Reaction Conditions
1.1 Catalysts: Niobium pentoxide Solvents: o-Xylene ;  rt → 160 °C; 60 h, 160 °C
Reference
Heterogeneous catalysts for the cyclization of dicarboxylic acids to cyclic anhydrides as monomers for bioplastic production
Rashed, N. Md.; et al, Green Chemistry, 2017, 19(14), 3238-3242

Production Method 3

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1-Butanol ;  4 h, 170 °C; 8 h, 120 °C
2.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1,4-Dioxane ;  4 h, 120 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 4

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1-Butanol ;  12 h, 170 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 5

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1-Butanol ;  12 h, 170 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 6

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1-Butanol ;  12 h, 170 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 7

Reaction Conditions
1.1 4 h, 200 °C
2.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1-Butanol ;  12 h, 170 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 8

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1,4-Dioxane ;  4 h, 120 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 9

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1,4-Dioxane ;  4 h, 80 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 10

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Solvents: Water ;  rt → 80 °C; 70 min, 80 °C; 80 °C → 103 °C; 50 min, 103 °C
2.1 rt → 75 °C; 75 °C → 118 °C
Reference
Preparation butanetetracarboxylic acid
, China, , ,

Production Method 11

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1,4-Dioxane ;  4 h, 170 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 12

Reaction Conditions
1.1 Solvents: Diglyme ;  150 - 160 °C
Reference
Synthetic approach to cis and trans-decalins via Diels-Alder reaction and ring-closing metathesis as key steps: further extension to dioxapropellane derivative by ring-closing metathesis
Kotha, Sambasivarao; et al, Tetrahedron, 2011, 67(2), 501-504

Production Method 13

Reaction Conditions
1.1 Solvents: Xylene ;  reflux
Reference
Synthesis and optical properties of some isoindole-1,3-dione compounds: optical band gap, refractive index and absorbance band edge
Tan, Ayse; et al, Organic Communications, 2018, 11(4), 173-180

Production Method 14

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1-Butanol ;  4 h, 170 °C; 48 h, 120 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 15

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1,4-Dioxane ;  4 h, 80 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 16

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1,4-Dioxane ;  4 h, 80 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 17

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1-Butanol ;  12 h, 170 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

Production Method 18

Reaction Conditions
1.1 4 h, 200 °C
2.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1,4-Dioxane ;  4 h, 80 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione Raw materials

1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione Preparation Products

1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
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(CAS:85-43-8)THPA
Order Number:sfd1659
Stock Status:in Stock
Quantity:200KG
Purity:99%
Pricing Information Last Updated:Friday, 19 July 2024 14:32
Price ($):discuss personally
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:85-43-8)1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione
Order Number:A855211
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:54
Price ($):717.0

1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione Related Literature

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85-43-8 (1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione) Related Products

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:85-43-8)THPA
sfd1659
Purity:99%
Quantity:200KG
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:85-43-8)1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione
A855211
Purity:99%
Quantity:500g
Price ($):717.0
Email