Consensus flow list

3-methoxy-3-methylbutan-1-ol

fo-a729f8958227d95e

Identity

Type
Neutral molecule
CAS
56539-66-3
EC
260-252-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3-methoxy-3-methylbutan-1-ol

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MFKRHJVUCZRDTF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-methoxy-3-methylbutan-1-ol
Molecular formula chemrof:molecular_formula C6H14O2
Molecular mass chemrof:molecular_mass 118.176
Monoisotopic mass chemrof:monoisotopic_mass 118.09938
SMILES string chemrof:smiles_string COC(C)(C)CCO

Known URLs

8

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=56539-66-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.054.758 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8044389 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188023 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/366754K2K1 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.165I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62118 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27256531 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fc4e293c-6ceb-4b56-810a-4e0ef661d233 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6bf061e1-f343-4358-9c2f-b96dda995ed9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b23ed1ad-a197-4cff-b56c-f2d71d9cf067 Environmental → Air → Indoor EF 3.1 kg 4
7a87ae4b-d6c8-43ec-8269-0f5b2b26cf91 Environmental → Air → Long-term EF 3.1 kg 0
df1aabb6-d325-41b6-bd62-c6321a32f14d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
abf3c191-2d26-4572-9530-eb5ffc714536 Environmental → Air → Unknown EF 3.1 kg 4
95299a2d-4ab8-4eb1-9de8-fd481c47dcc6 Environmental → Ground → Agricultural EF 3.1 kg 4
c0896f6a-a98d-43d6-b459-bd63f6d6bf46 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1f4636f2-2b12-4092-a6d5-1a7105e93a1d Environmental → Ground → Unknown EF 3.1 kg 4
4312d607-0788-4a43-9be3-74e9f04300af Environmental → Water → Long-term EF 3.1 kg 0
8b5f4f85-4ef7-44c5-a27a-a27fabb9cb41 Environmental → Water → Ocean EF 3.1 kg 4
821f2392-b72b-4c7c-a8df-31518cacb37c Environmental → Water → Surface water EF 3.1 kg 4
bdc6cdd0-b8e0-4d4d-aaa2-ed13f74d0999 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
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  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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