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Methylhexahydrophthalic anhydride

fo-3d70007fd4aaa0c6

Identity

Type
Neutral molecule
CAS
25550-51-0
EC
247-094-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Methylhexahydrophthalic anhydride

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VYKXQOYUCMREIS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h6H,2-5H2,1H3
IUPAC name chemrof:IUPAC_name Methylhexahydrophthalic anhydride
Molecular formula chemrof:molecular_formula C9H12O3
Molecular mass chemrof:molecular_mass 168.192
Monoisotopic mass chemrof:monoisotopic_mass 168.07864, 168.078644
SMILES string chemrof:smiles_string CC12CCCCC1C(=O)OC2=O

Known URLs

28

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=25550-51-0 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=48122-14-1 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:55461 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.798 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.051.216 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1644 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70964009 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0254649 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J319.971A enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=58849 enrich_references.pubchem_identifier_url
patent patent:JP2004010535 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3016472 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10617215 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11253036 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11409596 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11758999 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11926513 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12934723 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15054537 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1789402 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19772480 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9034685 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9253641 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9348723 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9686874 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9878586 enrich_references.chebi_xrefs
reaxys reaxys:147628 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27124310 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
19e32c49-6e4e-4678-92f8-c4001da73bf9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ac38dc2d-68d2-4a36-9ed0-0f3fb4c0c0f1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f7b91e6c-5bc1-4e07-b15c-7a5c4feaada7 Environmental → Air → Indoor EF 3.1 kg 4
4ac25f25-0f8a-4a36-8720-cba585f471f4 Environmental → Air → Long-term EF 3.1 kg 0
e5e60307-841c-4ae2-8850-332aa129f170 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4175ba4b-203d-46b6-9f43-a0f62b089e93 Environmental → Air → Unknown EF 3.1 kg 4
5fba9c0a-9b25-4176-b4e3-2b3713f76f64 Environmental → Ground → Agricultural EF 3.1 kg 4
775f4422-a86d-4ace-be7c-890627349711 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3cfdc475-4619-4d1d-a16a-399bd41ebc65 Environmental → Ground → Unknown EF 3.1 kg 4
6b693fba-7304-490f-a5fd-a7f7143b78b1 Environmental → Water → Long-term EF 3.1 kg 0
fef53b84-a497-439e-94b1-9251ee2045d6 Environmental → Water → Ocean EF 3.1 kg 4
0fc53179-400c-43e6-8f11-c3a76ac6a0f2 Environmental → Water → Surface water EF 3.1 kg 4
0189cc3c-38d5-4084-afd9-e13ec7491b36 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
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    {
      "@value": "Hexahydromethylphthalic Anhydride",
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    {
      "@value": "Methylhexahydrophthalic acid anhydride",
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    {
      "@value": "XNH 6830M2",
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