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1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

fo-347ed65402c70c19

Identity

Type
Neutral molecule
CAS
21145-77-7
EC
244-240-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Alternative labels

18

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DNRJTBAOUJJKDY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
IUPAC name chemrof:IUPAC_name 1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Molecular formula chemrof:molecular_formula C18H26O
Molecular mass chemrof:molecular_mass 258.405
Monoisotopic mass chemrof:monoisotopic_mass 258.198365
SMILES string chemrof:smiles_string CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C

Known URLs

14

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=21145-77-7 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88666 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.667 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.203 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7041544 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=19550 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184267 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/360Q8Z01IP enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061860 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J16.863G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130626 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/89440 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2289007 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q2409972 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6910eaa5-c421-4ca2-9408-efa0a9e2ce1c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f2f04603-fa16-4681-909b-21dd79b10f38 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ea4929bb-fa5c-46f6-9af0-0735db38ff0b Environmental → Air → Indoor EF 3.1 kg 2
64236db3-94b1-43db-9ede-f6d83df9a9a3 Environmental → Air → Long-term EF 3.1 kg 0
240da55e-4bc8-4ff2-a1f5-945f2eaeb650 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1d0f5633-b3ac-4f34-91c9-3fbd85e90d4a Environmental → Air → Unknown EF 3.1 kg 2
5df1086f-8999-43f9-ba0e-fd6a12c67b24 Environmental → Ground → Agricultural EF 3.1 kg 2
2e3d7c5a-a974-47cb-9c24-6033b57c90da Environmental → Ground → Non-agricultural EF 3.1 kg 2
b9fff599-e69a-466e-b6d0-f0041efdfd5a Environmental → Ground → Unknown EF 3.1 kg 2
41b154ad-e211-4189-92e3-121b52466962 Environmental → Water → Long-term EF 3.1 kg 0
44127118-366d-4340-a651-f93d49755735 Environmental → Water → Ocean EF 3.1 kg 2
dc6fc3a0-1fd1-4862-96fc-6f22e3212fa9 Environmental → Water → Surface water EF 3.1 kg 2
5b8a5006-aa4e-44f7-a282-47f86787e2c7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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