Consensus flow list

Trans-1,2-dimethylcyclohexane

fo-1edf094f4019b9e3

Identity

Type
Neutral molecule
CAS
6876-23-9
EC
229-979-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Trans-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-HTQZYQBOSA-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-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@@H]1CCCC[C@H]1C
IUPAC name chemrof:IUPAC_name Trans-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=6876-23-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:188237 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.027.254 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.21800.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30858753 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HKG4AHC8VR enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SJL41NX55V enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J231.814H enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA11000637 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA11000637 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5332 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23313 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81986176 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8106bc74-46d0-4720-bd07-bcd274745a92 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
90bc6f95-aeb8-47b7-855e-1b2ea15cd142 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
241c20d2-bbf8-44a7-aa69-3cc48dbd1ced Environmental → Air → Indoor EF 3.1 kg 2
73b06310-01e0-4a3c-91ec-72cf777df766 Environmental → Air → Long-term EF 3.1 kg 0
3065d9ed-f839-43e5-8bb8-40c6e804b7ea Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f3aac1b6-70cd-4f2c-b0d0-4f7d11d5fbb2 Environmental → Air → Unknown EF 3.1 kg 2
e0e2b6c1-4090-4d14-9fd7-931d8800e848 Environmental → Ground → Agricultural EF 3.1 kg 2
c0e0b365-e382-41e9-8f07-0ddd9334ab45 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f74026a5-4a06-453b-8444-ccad9317863d Environmental → Ground → Unknown EF 3.1 kg 2
e4cbac2f-12ea-42d1-a6f4-be411671bfa6 Environmental → Water → Long-term EF 3.1 kg 0
28daec7c-3189-4717-a1ef-c4a08cfac858 Environmental → Water → Ocean EF 3.1 kg 2
483c6108-bfad-45aa-a7c1-ba7bc40aacd0 Environmental → Water → Surface water EF 3.1 kg 2
d8811149-d0db-41d4-bf05-699400e43fa6 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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