Brightway Flows 1.0
GitHub

Galaxolide

fo-b39ef1049c71f172

Identity

Type
Neutral molecule
CAS
1222-05-5
EC
214-946-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Galaxolide

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ONKNPOPIGWHAQC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
IUPAC name chemrof:IUPAC_name 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylindeno[5,6-c]pyran
Molecular formula chemrof:molecular_formula C18H26O
Molecular mass chemrof:molecular_mass 258.405
Monoisotopic mass chemrof:monoisotopic_mass 258.198365, 258.19837
SMILES string chemrof:smiles_string CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C

Known URLs

20

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=1222-05-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83784 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.013.588 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8027373 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1883305 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/14170060AT enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244470 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.040K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=125245 enrich_references.pubchem_identifier_url
patent patent:CN103784385 enrich_references.chebi_xrefs
patent patent:CN103911214 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91497 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22489002 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24357097 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24659337 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24845313 enrich_references.chebi_xrefs
reaxys reaxys:8147764 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1314281 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q2268349 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Galaxolide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
542b1d2a-8627-4b71-a77d-49146fa124fd Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3e47eba6-3a1d-4bbe-af93-de15d9186e1e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
619bba49-6d0d-4ec2-a01e-d528abc0b576 Environmental → Air → Indoor EF 3.1 kg 2
64983b21-484a-4d86-9040-bd9b8f9c2707 Environmental → Air → Long-term EF 3.1 kg 0
b58de673-01cd-4560-84b7-3dd616dcbd8c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
12fcf11c-abb7-4da6-91df-da1ecca85f7e Environmental → Air → Unknown EF 3.1 kg 2
4d4d0490-1c9e-4f29-ab0d-cf6885a350a0 Environmental → Ground → Agricultural EF 3.1 kg 2
b0d55fd8-6ec0-49ae-964c-4145005575f6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
3f4c274c-ea47-45bb-b8f2-2a490cf3dc35 Environmental → Ground → Unknown EF 3.1 kg 2
5f8577fd-a620-412d-8782-81f23382b4ec Environmental → Water → Long-term EF 3.1 kg 0
580663b5-b762-449b-b825-6d51681a3fb4 Environmental → Water → Ocean EF 3.1 kg 2
db215761-b3d9-4b39-9e37-d17a4c5cf658 Environmental → Water → Surface water EF 3.1 kg 2
a5f143e6-f565-4f5e-89a8-3d0045887eff Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b39ef1049c71f172",
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      "@value": "Galaxolide",
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  "altLabel": [
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      "@value": "4,6,6,7,8,8-hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene",
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    },
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      "@value": "Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-",
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    {
      "@value": "Galaxolide White",
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    {
      "@value": "Hexamethylindanopyran",
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    {
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    },
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      "@value": "Pearlide",
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