5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

1,2,3,6-Tetrahydro-4-methylphthalic anhydride
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-
3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione
4-Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-
4-Methyl-1,2,3,6-tetrahydrophthalic acid anhydride
4-Methyl-1,2,3,6-tetrahydrophthalic anhydride
4-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride
4-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride
4-Methyl-Δ4-tetrahydrophthalic anhydride
4-Methyltetrahydrophthalic anhydride
5-Methyltetrahydrophthalic anhydride
Aradur HY 2123
Lindride 2

Property	Value
InChI2D key string chemrof:inchi2d_key_string	OEMSKMUAMXLNKL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3
IUPAC name chemrof:IUPAC_name	5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Molecular formula chemrof:molecular_formula	C9H10O3
Molecular mass chemrof:molecular_mass	166.176
Monoisotopic mass chemrof:monoisotopic_mass	166.062994
SMILES string chemrof:smiles_string	CC1=CCC2C(=O)OC(=O)C2C1

Where 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=3425-89-6	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.020.295	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.478.943	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6058714	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=52669	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J169.054J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/98496	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72506178	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c5d5e85c-3e43-4871-98cc-44649fa12ba8	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
6a6b98db-4bc6-480a-9a8f-b53268ad3a77	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
eaadf966-2696-4ece-a0e6-76df951c6647	Environmental → Air → Indoor	EF 3.1	kg	2
99dca012-fd17-4f39-b92a-ab983e5cdb49	Environmental → Air → Long-term	EF 3.1	kg	0
537266a0-9542-4ff1-b584-00077b405289	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
20454a57-81ce-4b52-bafa-c341911f17b3	Environmental → Air → Unknown	EF 3.1	kg	2
4df08c51-216e-4636-8f96-dbbbec572480	Environmental → Ground → Agricultural	EF 3.1	kg	2
c58add9f-ac61-4b94-81e0-6628eaeba8c2	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6b8e78a6-7f7a-40bb-8304-3d97ac098046	Environmental → Ground → Unknown	EF 3.1	kg	2
24e8aae1-15e3-4fb4-8c07-ac718b1d9cf3	Environmental → Water → Long-term	EF 3.1	kg	0
15fa40ce-a898-4164-bf27-4d21372da24f	Environmental → Water → Ocean	EF 3.1	kg	2
a3572010-8114-4c33-b9d2-1fc7faef3942	Environmental → Water → Surface water	EF 3.1	kg	2
a15d32b6-0373-4342-9d0f-a8485e0094bc	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=3425-89-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "222-323-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=222-323-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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

5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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