Consensus flow list

Identity

Type
Neutral molecule
CAS
88917-22-0
EC
406-880-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for A Mixture Of Rr And Rs Isomers Of: (2-(2-methoxy-1-methyl)ethoxy)-1-methylethyl Acetate; (2-(2-methoxy-2-methyl)ethoxy)-1-methylethyl Acetate; (2-(2-methoxy-2-methyl)ethoxy)-2-methylethyl Acetate; (2-(2-methoxy-1-methyl)ethoxy)-2-methylethyl Acetate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DRLRGHZJOQGQEC-UHFFFAOYSA-N, LAVARTIQQDZFNT-UHFFFAOYSA-N, NKEDWQDWIYAZJY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H18O4/c1-7(11-4)5-12-8(2)6-13-9(3)10/h7-8H,5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name Dipropylene glycol methyl ether acetate
Molecular formula chemrof:molecular_formula C9H18O4
SMILES string chemrof:smiles_string COC(C)COC(C)COC(C)=O

Known URLs

12

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=212484-39-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=88917-22-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.843 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.133.736 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1752 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40858784 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1255792 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5455FZE9RB enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.013.198G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91872656 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9815489 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27261166 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d1ee6d0a-670c-48bb-b582-5bbbb957c17b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a0296f29-dd82-426b-b33b-331e3d859ab3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
db565e3e-38db-4deb-b6f5-127f33323832 Environmental → Air → Indoor EF 3.1 kg 4
a43fdff7-fbea-4d2e-b91e-aaba649b119e Environmental → Air → Long-term EF 3.1 kg 0
250483f6-1c37-4e0e-9fb9-f3c360129dca Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b54beeff-0dd7-427c-8d7d-c3c50b3bd980 Environmental → Air → Unknown EF 3.1 kg 4
e61a679c-a241-48a2-ae67-ff81d39a14af Environmental → Ground → Agricultural EF 3.1 kg 4
2183bf1f-e898-40c2-84e4-2e0549bfee5f Environmental → Ground → Non-agricultural EF 3.1 kg 4
17dec23c-5bd0-48ec-b5f4-96f47efa2789 Environmental → Ground → Unknown EF 3.1 kg 4
efd03eb5-45ff-4206-9b5a-abfd49a78547 Environmental → Water → Long-term EF 3.1 kg 0
cd739717-8314-4ef6-a4a5-0714cb289008 Environmental → Water → Ocean EF 3.1 kg 4
d82b626b-1acb-4d3b-afc9-2754d58511ba Environmental → Water → Surface water EF 3.1 kg 4
1b5b61e2-1275-4d1c-adc6-fa540ad63c98 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f488a84c41697c26",
  "prefLabel": [
    {
      "@value": "A Mixture Of Rr And Rs Isomers Of: (2-(2-methoxy-1-methyl)ethoxy)-1-methylethyl Acetate; (2-(2-methoxy-2-methyl)ethoxy)-1-methylethyl Acetate; (2-(2-methoxy-2-methyl)ethoxy)-2-methylethyl Acetate; (2-(2-methoxy-1-methyl)ethoxy)-2-methylethyl Acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  ],
  "altLabel": [
    {
      "@value": "Arcosolv DPMA",
      "@language": "en",
      "@lang": "en",
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        ],
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    },
    {
      "@value": "Dipropylene glycol methyl ether acetate",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dipropylene glycol monomethyl ether acetate",
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      "@value": "Dowanol DPMA",
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