Consensus flow list

Musk ambrette

fo-8da469807de67fe8

Identity

Type
Neutral molecule
CAS
83-66-9
EC
201-493-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Musk ambrette

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SUAUILGSCPYJCS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3
IUPAC name chemrof:IUPAC_name 4-tert-butyl-3-methoxy-2,6-dinitrotoluene
Molecular formula chemrof:molecular_formula C12H16N2O5
Molecular mass chemrof:molecular_mass 268.269
Monoisotopic mass chemrof:monoisotopic_mass 268.10592, 268.105922
SMILES string chemrof:smiles_string COc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]

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=83-66-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82495 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.358 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7025689 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=46122 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59845 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1373568 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/55V150W8R6 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0254956 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2909.30.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.610F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19461 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19461 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123389 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6753 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q26841326 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c6ae545e-95e3-4b6b-a076-081b0590cfb1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9eb58f6c-5453-4e56-a0b1-94d8a849c340 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
23da0534-91e4-4548-8b5f-7aad6ccda695 Environmental → Air → Indoor EF 3.1 kg 2
53618ac6-9cf1-44d4-8a5e-6bc455df013c Environmental → Air → Long-term EF 3.1 kg 0
b9fbd0d7-efa7-479a-9f93-f92c05f52978 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
99e68c0e-cf8f-4311-b82e-b268a069e16b Environmental → Air → Unknown EF 3.1 kg 2
ad97f5dc-b8aa-443b-8ce6-da0a853f6e7d Environmental → Ground → Agricultural EF 3.1 kg 2
f033b480-b495-454a-a774-a86e4528e47e Environmental → Ground → Non-agricultural EF 3.1 kg 2
e64e8f0b-d7be-4e40-8b9d-ff20cef89130 Environmental → Ground → Unknown EF 3.1 kg 2
d57a21d4-6b99-473e-af7e-9cd244659d1c Environmental → Water → Long-term EF 3.1 kg 0
b0847974-377d-4a32-8e61-2e0af73498d1 Environmental → Water → Ocean EF 3.1 kg 2
f0778fde-1f97-43a5-b6ad-487f5cf6126e Environmental → Water → Surface water EF 3.1 kg 2
4a4bda98-11f6-4738-b84e-7314b2e1b8f5 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-8da469807de67fe8",
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      "@value": "Musk ambrette",
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      "@value": "Synthetic musk ambrette",
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