Brightway Flows 1.0
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Bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium

fo-721383c39c522d04

Identity

Type
Chemical salt
CAS
83877-91-2
EC
281-161-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IVLBLTUZCAKUCG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/2C6H9O3.2C4H9O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-4(2)3-5;/h2*4H,3H2,1-2H3;2*4H,3H2,1-2H3;/q4*-1;+4
IUPAC name chemrof:IUPAC_name bis(2-methyl-1-propanolate);bis(3-oxobutanoic acid ethyl ester);titanium(4+), bis(3-ketobutyric acid ethyl ester);bis(2-methylpropan-1-olate);titanium(4+), bis(ethyl 3-oxidanylidenebutanoate);bis(2-methylpropan-1-olate);titanium(4+), bis(ethyl 3-oxobutanoate);bis(2-methylpropan-1-olate);titanium(4+)
Molecular formula chemrof:molecular_formula C20H36O8Ti
Molecular mass chemrof:molecular_mass 452.367
Monoisotopic mass chemrof:monoisotopic_mass 452.188964
SMILES string chemrof:smiles_string CCOC(=O)[CH-]C(=O)C.CCOC(=O)[CH-]C(=O)C.CC(C)C[O-].CC(C)C[O-].[Ti+4]

Known URLs

2

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=83877-91-2 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131860445 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
2a1bff4e-d625-4c0f-a576-ac7a2e3ac8dd Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7c5d6a1e-049c-4d57-8071-80aa3642f0ff Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e4474d39-54e5-4412-a2fe-127fa95de26b Environmental → Air → Indoor EF 3.1 kg 2
746cc131-a69e-4f1d-aeea-6d8238933c8c Environmental → Air → Long-term EF 3.1 kg 0
d3455007-6b18-4274-8c90-e85ec8c4af0a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4ab0750e-cae6-4991-bb0e-2c2744ccead3 Environmental → Air → Unknown EF 3.1 kg 2
96bf93bf-091e-47ae-8688-97933ae01c15 Environmental → Ground → Agricultural EF 3.1 kg 2
cb9bc5b2-d6ce-4552-a58b-f57598cee6c1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0c537722-6813-41d3-b47f-3f2408f55ab6 Environmental → Ground → Unknown EF 3.1 kg 2
1f1ff6ab-66f0-40b1-ad9d-2ef694b7c739 Environmental → Water → Long-term EF 3.1 kg 0
1beca23b-93eb-4ce7-a9b1-3672f05e6641 Environmental → Water → Ocean EF 3.1 kg 2
18821445-5c6b-4884-8b68-16150b799a29 Environmental → Water → Surface water EF 3.1 kg 2
75442c22-97ea-40ae-b805-b90c908d23c5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "1-Propanol, 2-methyl-, titanium complex",
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    {
      "@value": "Bis(ethyl acetoacetato)diisobutoxytitanium",
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    {
      "@value": "Diisobutoxy bis(ethylacetoacetato)titanate",
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}

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