Consensus flow list

Dipropylene Glycol Methyl Ether

fo-975d2248e6a17db0

Identity

Type
Neutral molecule
CAS
34590-94-8
EC
252-104-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dipropylene Glycol Methyl Ether

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

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OTBAIPDRWPLCQD-UHFFFAOYSA-N, SHRGCOIDGUJGJI-ZETCQYMHSA-N, WGYZMNBUZFHYRX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H16O3/c1-3-7(8)10-6-4-5-9-2/h7-8H,3-6H2,1-2H3/t7-/m0/s1, InChI=1S/C7H16O3/c1-4-6(8)10-7(5-2)9-3/h6-8H,4-5H2,1-3H3, InChI=1S/C7H16O3/c1-6(8)4-10-7(2)5-9-3/h6-8H,4-5H2,1-3H3
Isomeric SMILES string chemrof:isomeric_smiles_string CC[C@@H](O)OCCCOC
IUPAC name chemrof:IUPAC_name (1S)-1-(3-methoxypropoxy)-1-propanol, (1S)-1-(3-methoxypropoxy)propan-1-ol, 1-(1-methoxypropan-2-yloxy)-2-propanol, 1-(1-methoxypropan-2-yloxy)propan-2-ol, 1-(1-methoxypropoxy)-1-propanol, 1-(1-methoxypropoxy)propan-1-ol, 1-(2-methoxy-1-methyl-ethoxy)propan-2-ol
Molecular formula chemrof:molecular_formula C7H16O3
SMILES string chemrof:smiles_string CC(COC(C)COC)O, CCC(O)OC(CC)OC, CCC(O)OCCCOC

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=34590-94-8 enrich_references.consensus_cas_link
cdc.gov https://www.cdc.gov/niosh-rtecs/JM180858.html enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.039.742 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.047.353 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5027809 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RQ1X8FMQ9N enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J103.261E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21938861 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/25484 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/93233335 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1312727 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q26840877 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72501588 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4d296f-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4bb-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1b889157-9ef2-4f8f-a911-a1f8c8a3c400 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4ba-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a4bc-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4b9-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4b7-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4c0-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4b8-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4be-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a273-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4bd-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4bf-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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