Consensus flow list

Cis-1,2-dimethylcyclohexane

fo-46dae48fffbaf0cf

Identity

Type
Neutral molecule
CAS
2207-01-4
EC
218-621-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Cis-1,2-dimethylcyclohexane

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KVZJLSYJROEPSQ-OCAPTIKFSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@@H]1CCCC[C@@H]1C
IUPAC name chemrof:IUPAC_name Cis-1,2-dimethylcyclohexane
Molecular formula chemrof:molecular_formula C8H16
Molecular mass chemrof:molecular_mass 112.216
Monoisotopic mass chemrof:monoisotopic_mass 112.1252, 112.125201
SMILES string chemrof:smiles_string CC1CCCCC1C

Known URLs

13

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=2207-01-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:186781 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.929 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.15765.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80858743 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=74157 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E1O9N97RTZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.365I enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA11000636 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA11000636 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5331 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16628 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81986166 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9f4d99f4-5d33-4962-917f-dc83f75f0811 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
63fadd2f-f9d3-4dab-bbc8-ad2cf4093dd8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
33292bae-c8ae-4b34-987d-f89fb8e3a2fe Environmental → Air → Indoor EF 3.1 kg 2
1e715bd2-be21-4544-a480-ed2c65096ef6 Environmental → Air → Long-term EF 3.1 kg 0
efe03c40-3f15-4dd7-9a8f-f41462c4aa9f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e2b5bbbd-422c-4ee2-a988-cdc81868f5d7 Environmental → Air → Unknown EF 3.1 kg 2
9c51dac1-b7af-4cb9-96ac-1ed4e4b9548c Environmental → Ground → Agricultural EF 3.1 kg 2
b6bbfe60-0bf8-4f0b-922d-b3afb577e2ee Environmental → Ground → Non-agricultural EF 3.1 kg 2
d8784e56-fa85-48d0-9db4-07d1672e494e Environmental → Ground → Unknown EF 3.1 kg 2
809c4c6a-f25b-4da6-a0b5-34cf697a5d95 Environmental → Water → Long-term EF 3.1 kg 0
141fa1af-c5f1-4c44-859e-441c1445a8b1 Environmental → Water → Ocean EF 3.1 kg 2
0875433a-28db-44a9-88f9-1fdce5e83cd7 Environmental → Water → Surface water EF 3.1 kg 2
62f8bd1b-63bb-437c-9419-70d443f13c6a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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}

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