1,2,3,6-tetrahydrophthalic Anhydride
fo-808d529ddd07619b
Identity
- Type
- Neutral molecule
- CAS
- 85-43-8
- EC
- 201-605-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
26- 1,2,3,6-tetrahydrophthalic acid anhydride
- 1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione
- 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-
- 3a,4,7,7a-tetrahydro-1,3-isobenzofurandione
- 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- 4-cyclohexene-1,2-dicarboxylic acid anhydride
- 4-cyclohexene-1,2-dicarboxylic anhydride
- Anhydride 70
- butadiene-maleic anhydride adduct
- cyclohexene-4,5-dicarboxylic anhydride
- Delta(4)-tetrahydrophthalic anhydride
- Epiclon B 570H
- Hexahydro-5-methylene-1,3-isobenzofurandione
- maleic anhydride adduct of butadiene
- maleic anhydride-butadiene adduct
- memtetrahydro phtalic anhydride
- Rikacid TH
- Rikacid THPA
- Tetrahydroftalanhydrid
- Tetrahydroisobenzofuran-1,3-dione
- tetrahydrophthalic acid anhydride
- tetrahydrophthalic anhydride
- Tetrahydrophthalsaeureanhydrid
- THPA
- THPHA
- Δ4-Tetrahydrophthalic anhydride
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KMOUUZVZFBCRAM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2 |
| IUPAC name chemrof:IUPAC_name | 1,2,3,6-tetrahydrophthalic Anhydride |
| Molecular formula chemrof:molecular_formula | C8H8O3 |
| Molecular mass chemrof:molecular_mass | 152.149 |
| Monoisotopic mass chemrof:monoisotopic_mass | 152.04734, 152.047344 |
| SMILES string chemrof:smiles_string | O=C1OC(=O)C2CC=CCC12 |
Known URLs
18Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=85-43-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:180650 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.460 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.043.231 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1372 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.6551.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3026516 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=292900 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=82642 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL8001 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.015D | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143500 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6810 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1760 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2698 | enrich_references.pubchem_identifier_url |
| reaxys | reaxys:82340 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q26840954 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Tetrahydrophthalic_anhydride | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6ee9bf2a-cef8-41b4-b929-c281f08c18ca | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4cb5caa1-facc-4dcd-aac6-804e013e80b7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 84554dea-13b7-4830-a251-3e8a9398fd35 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| b02564c5-a018-41fd-b2ab-4af1c673f6f1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 24379b10-ad85-4302-b3be-4e3d29d81262 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 39301473-47a0-4134-bf5a-9bf6283ae27b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| ef4c750b-102c-4d96-97b2-8e0dbe18b899 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 13f59f89-f5dc-4a16-b263-cf55f0eb4c46 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 30640d58-ae0b-4a06-8687-df624cd59030 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| b1cb6d89-eb8c-47b3-aa88-4edf582d85e8 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| bafa94a2-dde5-4ccd-86eb-69cc5ddf5065 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 61915d86-f839-457a-b13e-065b9ef27dc9 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 020dbaed-6604-498d-8dda-46f00cd33b89 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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{
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{
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works