Consensus flow list

3-((5-(3-(dodecanoyloxy)-2,2-dimethylpropylideneamino)-1,3,3-trimethylcyclohexyl)methylimino)-2,2-dimethylpropyl Dodecanoate

fo-4b419a5af49baa31

Identity

Type
Neutral molecule
CAS
932742-30-8
EC
700-071-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-((5-(3-(dodecanoyloxy)-2,2-dimethylpropylideneamino)-1,3,3-trimethylcyclohexyl)methylimino)-2,2-dimethylpropyl Dodecanoate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PLCJQVXNAMXZGB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C44H82N2O4/c1-10-12-14-16-18-20-22-24-26-28-39(47)49-36-42(5,6)33-45-35-44(9)31-38(30-41(3,4)32-44)46-34-43(7,8)37-50-40(48)29-27-25-23-21-19-17-15-13-11-2/h33-34,38H,10-32,35-37H2,1-9H3
IUPAC name chemrof:IUPAC_name 3-((5-(3-(dodecanoyloxy)-2,2-dimethylpropylideneamino)-1,3,3-trimethylcyclohexyl)methylimino)-2,2-dimethylpropyl Dodecanoate
Molecular formula chemrof:molecular_formula C44H82N2O4
Molecular mass chemrof:molecular_mass 703.15
Monoisotopic mass chemrof:monoisotopic_mass 702.627459
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)OCC(C)(C)C=NCC1(C)CC(N=CC(C)(C)COC(=O)CCCCCCCCCCC)CC(C)(C)C1

Known URLs

6

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=932742-30-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.148.983 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90889245 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.567.973A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/89999196 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81987262 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0a97eaf6-0f66-4bbd-975b-81d934130e62 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d393e0e5-357c-44ed-8310-00c6095b63bc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
04aed613-1419-4f45-8d60-8296c15cd280 Environmental → Air → Indoor EF 3.1 kg 4
42280408-a87e-4321-be13-479b854a5c4e Environmental → Air → Long-term EF 3.1 kg 0
03d3986f-fa67-4f83-bf54-885eb9013343 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9b743506-265b-41b3-adc6-ffacb56b4695 Environmental → Air → Unknown EF 3.1 kg 4
86f1b19c-8e28-46b2-bb33-488c86628379 Environmental → Ground → Agricultural EF 3.1 kg 4
25aa7458-1892-4caf-94a3-f18f66a406d6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1d9fa451-c6df-4fbb-9449-3b4c0ca436c5 Environmental → Ground → Unknown EF 3.1 kg 4
4e8b0452-b2d8-46bb-b6b3-c52a5508dab4 Environmental → Water → Long-term EF 3.1 kg 0
02ba9e18-e380-458b-b2c3-3d3f989294ae Environmental → Water → Ocean EF 3.1 kg 4
d5895324-317c-48d5-9656-3572033fd382 Environmental → Water → Surface water EF 3.1 kg 4
0ef4b9d3-855d-4430-b8ac-c2340ca05107 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-4b419a5af49baa31",
  "prefLabel": [
    {
      "@value": "3-((5-(3-(dodecanoyloxy)-2,2-dimethylpropylideneamino)-1,3,3-trimethylcyclohexyl)methylimino)-2,2-dimethylpropyl Dodecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-[[3-[[[2,2-Dimethyl-3-[(1-oxododecyl)oxy]propylidene]amino]methyl]-3,5,5-trimethylcyclohexyl]imino]-2,2-dimethylpropyl dodecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=932742-30-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecanoic acid, 3-[[3-[[[2,2-dimethyl-3-[(1-oxododecyl)oxy]propylidene]amino]methyl]-3,5,5-trimethylcyclohexyl]imino]-2,2-dimethylpropyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′-Bis(2,2-dimethyl-3-lauroyloxypropylidene)-3-aminomethyl-3,5,5-trimethylcyclohexylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Sika Hardener LI",
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}

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