Consensus flow list

Identity

Type
Neutral molecule
CAS
85-70-1
EC
201-624-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Butyl phthalyl butyl glycolate

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GOJCZVPJCKEBQV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-O-(2-butoxy-2-oxoethyl) 1-O-butyl benzene-1,2-dicarboxylate
Molecular formula chemrof:molecular_formula C18H24O6
Molecular mass chemrof:molecular_mass 336.384
Monoisotopic mass chemrof:monoisotopic_mass 336.157288, 336.15729
SMILES string chemrof:smiles_string CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC

Known URLs

10

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=85-70-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:191079 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.477 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.6560.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7023938 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182027 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I5LOD5H050 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.378H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6819 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27280474 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e2fb2bd3-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9d7a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
eb191e6e-3e1b-46b5-af8a-817812006920 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9d79-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a004-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9d78-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-a015-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-903a-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9d77-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-a006-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-903b-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-a005-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-a007-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f25e45fc5bd21a5e",
  "prefLabel": [
    {
      "@value": "Butyl phthalyl butyl glycolate",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenedicarboxylic acid, 1-(2-butoxy-2-oxoethyl) 2-butyl ester",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl butyl ester",
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      }
    },
    {
      "@value": "2-Butoxy-2-oxoethyl butyl phthalate",
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    },
    {
      "@value": "2-O-(2-butoxy-2-oxoethyl) 1-O-butyl benzene-1,2-dicarboxylate",
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    },
    {
      "@value": "Butoxycarbonylmethyl butyl phthalate",
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    {
      "@value": "Butyl 2-butoxy-2-exoethyl phthalate",
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    },
    {
      "@value": "Butyl carbobutoxymethyl phthalate",
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      }
    },
    {
      "@value": "Butyl glycolyl butyl phthalate",
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    {
      "@value": "Phthalic acid, butyl ester, ester with butyl glycolate",
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    {
      "@value": "Santicizer B 16",
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