Consensus flow list

Bis(ethylacetoacetato‐o1',o3")bis(propan‐2‐olato)titanium

fo-72ea33edbebf90b6

Identity

Type
Chemical salt
CAS
27858-32-8
EC
248-697-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

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

Alternative labels

25

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KOMFIGCIQYWSAD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/2C6H9O3.2C3H7O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-3(2)4;/h2*4H,3H2,1-2H3;2*3H,1-2H3;/q4*-1;+4
IUPAC name chemrof:IUPAC_name bis(3-ketobutyric acid ethyl ester);bis(propan-2-olate);titanium(4+), bis(3-oxobutanoic acid ethyl ester);bis(2-propanolate);titanium(4+), bis(ethyl 3-oxidanylidenebutanoate);bis(propan-2-olate);titanium(4+), bis(ethyl 3-oxobutanoate);bis(propan-2-olate);titanium(4+)
Molecular formula chemrof:molecular_formula C18H32O8Ti
Molecular mass chemrof:molecular_mass 424.313
Monoisotopic mass chemrof:monoisotopic_mass 424.157664
SMILES string chemrof:smiles_string CCOC(=O)[CH-]C(=O)C.CCOC(=O)[CH-]C(=O)C.CC(C)[O-].CC(C)[O-].[Ti+4]

Known URLs

3

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=27858-32-8 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131852014 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27268866 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
633f2f82-682d-49ab-b81f-71d20745536d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5a90fd02-fa58-43b5-918c-3e41bad74003 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ed829525-f678-4fc3-9c40-cb9426109bfb Environmental → Air → Indoor EF 3.1 kg 4
1e0af1d4-0deb-4f22-97f2-d7193a9de395 Environmental → Air → Long-term EF 3.1 kg 0
5db78b64-844a-44fd-9b4a-a7c6c3551653 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
826d6df7-9d66-4286-8da3-4310fdad6f96 Environmental → Air → Unknown EF 3.1 kg 4
21db3d13-a9b0-43a0-bc1a-479cb69d381e Environmental → Ground → Agricultural EF 3.1 kg 4
7e59c79e-3024-4e94-b59a-294fc9ad1d5e Environmental → Ground → Non-agricultural EF 3.1 kg 4
fff8a969-ab5c-473b-8367-77ce86a6a952 Environmental → Ground → Unknown EF 3.1 kg 4
21fda537-11a7-491b-9987-d59e9d3a5748 Environmental → Water → Long-term EF 3.1 kg 0
50e6a735-51d4-4bf4-a4d8-d24781696edb Environmental → Water → Ocean EF 3.1 kg 4
9eb3d0a9-682e-45fb-b645-64430d80dda9 Environmental → Water → Surface water EF 3.1 kg 4
9b170265-3016-4861-b94b-a0ddd71d85c2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "Tytan S 2",
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      "@value": "Tyzor DC",
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      "@value": "Tyzor PITA",
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  "properties": {
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