Consensus flow list

Trans-4-tert-butylcyclohexanol

fo-ba29af99a306ef74

Identity

Type
Neutral molecule
CAS
21862-63-5
EC
700-127-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Trans-4-tert-butylcyclohexanol

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

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CCOQPGVQAWPUPE-KYZUINATSA-N, HSPOZIRZAGTMJJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3/t8-,9-
Isomeric SMILES string chemrof:isomeric_smiles_string CC(C)(C)[C@H]1CC[C@H](O)CC1
IUPAC name chemrof:IUPAC_name Trans-4-tert-butylcyclohexanol
Molecular formula chemrof:molecular_formula C10H20O, C20H40O2
SMILES string chemrof:smiles_string CC(C)(C)C1CCC(O)CC1

Known URLs

17

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=21862-63-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.434 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.110 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40883571 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5026623 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50885182 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=404197 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1886723 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F5FZ4Y0UMG enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L5067JRJ73 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J151.003G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J151.004E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.542C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73416940 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7391 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1373206 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q67195227 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f1fe84ba-6652-4d2e-94e5-fba43b9b25ee Environmental → Air → Aircraft cruise height EF 3.1 kg 2
822d1770-7834-4b28-82ed-86bf7f1a4a25 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
49af4cb4-ccf1-41e9-8f2d-a08ca2245088 Environmental → Air → Indoor EF 3.1 kg 2
2c63e012-efc9-42e3-8825-1ff539dfdd49 Environmental → Air → Long-term EF 3.1 kg 0
4b13d033-f57f-4d0a-a057-ae7181d1bac1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
429cfde6-eda3-4709-90e9-aeb0d1ce1c3b Environmental → Air → Unknown EF 3.1 kg 2
298795eb-2f35-4f89-a7f5-ea86cfc443a5 Environmental → Ground → Agricultural EF 3.1 kg 2
a30f3bcc-f2b3-4fd5-acb6-62ff5e55b09e Environmental → Ground → Non-agricultural EF 3.1 kg 2
47e66fe3-0f31-4919-8ee6-11a28ac194da Environmental → Ground → Unknown EF 3.1 kg 2
ca63bddc-52a6-40e2-9e00-77be325e4cf0 Environmental → Water → Long-term EF 3.1 kg 0
a0f9b4a1-ce3c-49fd-85a9-9f3cce48822f Environmental → Water → Ocean EF 3.1 kg 2
36bcc77d-7f73-4e4b-85c1-a58a4e3a5329 Environmental → Water → Surface water EF 3.1 kg 2
f22ddadc-66d8-4573-af89-9fc3db7f5b06 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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