Consensus flow list

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

fo-d54790229f0b22e3

Identity

Type
Neutral molecule
CAS
19438-60-9
EC
243-072-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 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

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FKBMTBAXDISZGN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3
IUPAC name chemrof:IUPAC_name 1,2-Cyclohexanedicarboxylic anhydride, 4-methyl-
Molecular formula chemrof:molecular_formula C9H12O3
Molecular mass chemrof:molecular_mass 168.192
Monoisotopic mass chemrof:monoisotopic_mass 168.078644
SMILES string chemrof:smiles_string CC1CCC2C(=O)OC(=O)C2C1

Known URLs

10

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=19438-60-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.039.141 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1376 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8044333 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=128883 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244846 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J147.413H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86876 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=189629 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q126616095 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e121ce18-65f5-45de-8f03-e74acc45d622 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b4d60448-6e9c-49a7-a618-d76da5fe6f62 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
212cef90-a6f2-45cc-907a-3d21077ecfd8 Environmental → Air → Indoor EF 3.1 kg 4
e5de50a6-d9f5-440b-a5cd-8238951fb23c Environmental → Air → Long-term EF 3.1 kg 0
6a02c077-8e87-4870-b468-ff073afb31b9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
698ec350-dbdf-45e0-903a-8cb9a695902e Environmental → Air → Unknown EF 3.1 kg 4
810ed7db-f34f-4cb3-b5a2-393e2bc96b56 Environmental → Ground → Agricultural EF 3.1 kg 4
cfc8da15-7038-47ae-8ec3-e7d802da7903 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1564cb78-f2ed-45f8-8c23-f59d66db5839 Environmental → Ground → Unknown EF 3.1 kg 4
24654882-3bd2-4fbb-b866-bea802e5016a Environmental → Water → Long-term EF 3.1 kg 0
625a202c-b394-49f0-934a-06ced9f05642 Environmental → Water → Ocean EF 3.1 kg 4
ff100083-357a-47f4-8f32-5f73e78cf126 Environmental → Water → Surface water EF 3.1 kg 4
64e3e611-8d61-4f43-a410-653f246d773c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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}

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