Consensus flow list

Heptanoic Acid, Ester With 2-ethyl-2-(hydroxymethyl)-1,3-propanediol Pentanoate

fo-773fb80cdc0d837f

Identity

Type
MolecularComplex
CAS
67762-64-5
EC
267-029-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Heptanoic Acid, Ester With 2-ethyl-2-(hydroxymethyl)-1,3-propanediol Pentanoate

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BHWBBAYOMXQXQH-UHFFFAOYSA-N, CIPBJDPIFXKOLJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H14O2.C6H14O3.C5H10O2/c1-2-3-4-5-6-7(8)9;1-2-6(3-7,4-8)5-9;1-2-3-4-5(6)7/h2-6H2,1H3,(H,8,9);7-9H,2-5H2,1H3;2-4H2,1H3,(H,6,7)
IUPAC name chemrof:IUPAC_name Trimethylolpropane heptanoate valerate
Molecular formula chemrof:molecular_formula C18H34O5, C18H38O7
SMILES string chemrof:smiles_string CCC(CO)(CO)CO.CCCCC(=O)O.CCCCCCC(=O)O

Known URLs

4

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=67762-64-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.060.917 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/106781 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126609803 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
80225d6f-c10b-4139-8fd7-0c47b091cb73 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b080d168-d25a-480e-826d-142917c0518f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0894600f-5dd1-4153-be6b-9eefeaf2c6c5 Environmental → Air → Indoor EF 3.1 kg 4
91d0da40-32a5-44dd-89e5-32dac2b3d749 Environmental → Air → Long-term EF 3.1 kg 0
6dd9aa52-73ee-484d-ac4c-09867640020f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3fccf08c-d4cf-447d-9a21-bb7848061c5b Environmental → Air → Unknown EF 3.1 kg 4
045dbb53-e40a-4930-8296-8c30e9d3d4ac Environmental → Ground → Agricultural EF 3.1 kg 4
f5116d9c-cb87-4b5f-ad25-76f54ddfa3da Environmental → Ground → Non-agricultural EF 3.1 kg 4
08d31edc-b5bc-48d2-9268-1e156d6ddf49 Environmental → Ground → Unknown EF 3.1 kg 4
001b0eb1-deed-490a-9bb2-f29e7d58b5ab Environmental → Water → Long-term EF 3.1 kg 0
d7312e7b-c606-4709-87b4-7384e93933fd Environmental → Water → Ocean EF 3.1 kg 4
64ac5d87-fffc-4af8-b017-fd5225fe255e Environmental → Water → Surface water EF 3.1 kg 4
38e0686c-7904-41af-bc9d-6b5e9afad909 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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}

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