Consensus flow list

1-[2-(2-butoxy-1-methylethoxy)-1-methylethoxy]propan-1-ol

fo-78eff552cff0f4cd

Identity

Type
NeutralMolecule
CAS
55934-93-5
EC
259-910-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1-[2-(2-butoxy-1-methylethoxy)-1-methylethoxy]propan-1-ol

This substance carries 4 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LORVPHHKJFSORQ-UHFFFAOYSA-N, OLHASXCGOVRJFN-UHFFFAOYSA-N, QSSDFXGXUGCLSY-UHFFFAOYSA-N, RNFAKTRFMQEEQE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H28O4/c1-2-3-8-15-10-5-12-17-13-6-11-16-9-4-7-14/h14H,2-13H2,1H3, InChI=1S/C13H28O4/c1-5-6-7-15-9-12(3)16-10-13(4)17-11(2)8-14/h11-14H,5-10H2,1-4H3, InChI=1S/C13H28O4/c1-5-6-7-15-9-12(3)17-10-13(4)16-8-11(2)14/h11-14H,5-10H2,1-4H3, InChI=1S/C13H28O4/c1-5-8-9-15-13(7-3)17-11(4)10-16-12(14)6-2/h11-14H,5-10H2,1-4H3
IUPAC name chemrof:IUPAC_name 1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]-2-propanol, 1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol, 1-[2-(1-butoxypropoxy)propoxy]-1-propanol, 1-[2-(1-butoxypropoxy)propoxy]propan-1-ol, 1-[2-(2-butoxy-1-methyl-ethoxy)-1-methyl-ethoxy]propan-2-ol, 2-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]-1-propanol, 2-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-1-ol, 2-[2-(2-butoxy-1-methyl-ethoxy)-1-methyl-ethoxy]propan-1-ol, 3-[3-(3-butoxypropoxy)propoxy]-1-propanol, 3-[3-(3-butoxypropoxy)propoxy]propan-1-ol
Molecular formula chemrof:molecular_formula C13H28O4
SMILES string chemrof:smiles_string CCCCOC(CC)OC(C)COC(CC)O, CCCCOCC(C)OCC(C)OC(C)CO, CCCCOCC(C)OCC(C)OCC(C)O, CCCCOCCCOCCCOCCCO

Known URLs

13

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=55934-93-5 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173368 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8042503 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90973032 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185985 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K0N34Z34O8 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.781.507E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3044557 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5187572 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/60196418 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92132637 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126612999 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27896607 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1a06e614-8a30-4528-bc6e-96161b97e549 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b361154f-3292-4f78-8e97-2580affde01d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ffe2973d-c4bd-4d2b-b4cc-37b10ba10e4a Environmental → Air → Indoor EF 3.1 kg 2
7e75fdbc-52bf-4904-9bf7-be6cad5b5e3c Environmental → Air → Long-term EF 3.1 kg 0
cf8cc4ce-4fab-483e-ac40-a50a74c0b035 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
79535d28-481c-4131-ad34-ad0483d8f049 Environmental → Air → Unknown EF 3.1 kg 2
7a3116f4-1dca-469a-856a-82e08f8b37d1 Environmental → Ground → Agricultural EF 3.1 kg 2
a17a884b-585f-4814-9278-175f43e8b812 Environmental → Ground → Non-agricultural EF 3.1 kg 2
076e6019-7222-406a-8abd-864a5b246dd6 Environmental → Ground → Unknown EF 3.1 kg 2
6e9e9aa7-f94f-4dc3-a89f-fb29079def20 Environmental → Water → Long-term EF 3.1 kg 0
1bc05884-8ad3-4ec9-bb67-ed6a6a9f0433 Environmental → Water → Ocean EF 3.1 kg 2
ec4ed3fc-d4c4-4638-8909-e1e418227bb5 Environmental → Water → Surface water EF 3.1 kg 2
d63f107e-c26f-4011-bfb2-0b2c918051c4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
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