Consensus flow list

Identity

Type
Neutral molecule
CAS
6386-38-5
EC
228-985-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PXMJCECEFTYEKE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3
IUPAC name chemrof:IUPAC_name Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Molecular formula chemrof:molecular_formula C18H28O3
Molecular mass chemrof:molecular_mass 292.419
Monoisotopic mass chemrof:monoisotopic_mass 292.20384, 292.203845
SMILES string chemrof:smiles_string COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

Known URLs

9

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=6386-38-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:183289 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.351 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.56362.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7027623 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/35RWF1ITXJ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.859J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62603 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27256486 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a7b6b3b4-3319-43a9-b360-c70af6ebe488 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5cd44042-0206-451a-9bf3-5865e9700e83 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
961722f3-de88-498d-8316-f19fab510979 Environmental → Air → Indoor EF 3.1 kg 2
d39661a4-80dd-49ed-ac2c-a356b3342de7 Environmental → Air → Long-term EF 3.1 kg 0
6161ab8c-4c96-4c09-8bcf-ee6f580cdd45 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fc91c96a-7ae9-4e7e-984a-cccc2f46ca03 Environmental → Air → Unknown EF 3.1 kg 2
eb1f6682-5790-45c5-96a3-564d6d7bc18b Environmental → Ground → Agricultural EF 3.1 kg 2
ecee5f36-4f03-4bbf-9d45-32d837f1241a Environmental → Ground → Non-agricultural EF 3.1 kg 2
f0d451c5-9bce-4f5b-939b-4051d2e2de1c Environmental → Ground → Unknown EF 3.1 kg 2
ba9111b0-8ff3-4097-95dd-7181e59525ac Environmental → Water → Long-term EF 3.1 kg 0
a32557e6-087d-4030-b9a5-e0dd38c8952f Environmental → Water → Ocean EF 3.1 kg 2
122785e0-f7f4-4424-b7e7-c5e093b0c038 Environmental → Water → Surface water EF 3.1 kg 2
8fb46d3e-9912-4dae-9917-ad58665d2e98 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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