Consensus flow list

Identity

Type
Neutral molecule
CAS
16111-62-9
EC
240-282-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3,3'-[dioxybis(carbonyloxymethylene)]diheptane

Alternative labels

28

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZACVGCNKGYYQHA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
IUPAC name chemrof:IUPAC_name 2-ethylhexoxycarbonyloxy 2-ethylhexyl carbonate, carbonic acid 2-ethylhexoxycarbonyloxy 2-ethylhexyl ester, carbonic acid [2-ethylhexoxy(oxo)methoxy] 2-ethylhexyl ester
Molecular formula chemrof:molecular_formula C18H34O6
Molecular mass chemrof:molecular_mass 346.464
Monoisotopic mass chemrof:monoisotopic_mass 346.235539
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC

Known URLs

7

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=16111-62-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.036.605 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5027778 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.287H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/85963 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3113 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q26878005 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6b99ef13-ef42-4c4f-a367-f8060c581a1d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cf5a939b-d9cd-45b4-9aba-255ac20fda06 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8d39f0a8-c0e0-4e94-b76d-6fd399f52a8a Environmental → Air → Indoor EF 3.1 kg 4
2774bfb3-19f7-4690-a498-fc8b193735f0 Environmental → Air → Long-term EF 3.1 kg 0
ca39d1e5-1ab7-496a-aec7-ec0fb6477779 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
02970f67-dc41-4ea6-8582-f47352f3a059 Environmental → Air → Unknown EF 3.1 kg 4
88649881-a3df-47ad-a919-45a838cac0ce Environmental → Ground → Agricultural EF 3.1 kg 4
df72be57-0abe-4f57-9882-175cd88c1d22 Environmental → Ground → Non-agricultural EF 3.1 kg 4
90ebde74-412e-4a5a-9265-5b93c1a0ed52 Environmental → Ground → Unknown EF 3.1 kg 4
e893cfb4-ab08-4c8b-99b0-3206cc90083a Environmental → Water → Long-term EF 3.1 kg 0
169d1715-ae15-4746-94f7-8ca939de4eb2 Environmental → Water → Ocean EF 3.1 kg 4
89697b32-3b56-4da9-82c6-004614414da7 Environmental → Water → Surface water EF 3.1 kg 4
79c0339e-7337-4d7b-8f80-a4325450626f 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
{
  "flow_object_id": "fo-6890f8906ab54af7",
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  ],
  "altLabel": [
    {
      "@value": "2-Ethylhexyl peroxydicarbonate",
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    {
      "@value": "Di-2-ethylhexyl percarbonate",
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    {
      "@value": "Diethylhexyl peroxydicarbonate",
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      "@value": "Kayacarbon EH-C 70",
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    {
      "@value": "P-OPP",
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      "@value": "Peroyl OPP",
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    },
    {
      "@value": "Trigonox EHP",
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      "@value": "Trigonox EHP-C 75",
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      "@value": "Trigonox EHP-W 40",
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    {
      "@value": "Trigonox EHP-W 60",
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    {
      "@value": "Trigonox EHPC",
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  ],
  "properties": {
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      "@value": [
        "C18H34O6"
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          "prov:hadPrimarySource": [
            "CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC"
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        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZACVGCNKGYYQHA-UHFFFAOYSA-N"
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        "InChI=1S/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3"
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    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
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