Consensus flow list

2-butenedioic Acid (2e)-, Ditetradecyl Ester

fo-872d658e3628ccf0

Identity

Type
Neutral molecule
CAS
10341-03-4
EC
233-739-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-butenedioic Acid (2e)-, Ditetradecyl Ester

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DYVHFPDDBMMBAX-BYYHNAKLSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C32H60O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-31(33)27-28-32(34)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26,29-30H2,1-2H3/b28-27+
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCCC
IUPAC name chemrof:IUPAC_name Di-n-tetradecyl fumarate
Molecular formula chemrof:molecular_formula C32H60O4
Molecular mass chemrof:molecular_mass 508.828
Monoisotopic mass chemrof:monoisotopic_mass 508.44916
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCC

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=10341-03-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.030.660 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID001236094 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/30JRW492AY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J114.841I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6437727 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27255954 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a0aec8e9-68da-41d5-b7d6-399b5f971e8c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3ccbcb59-f7c1-466a-b239-e5635f15d9ba Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e359b5e3-a063-41dc-b25c-bbe60f32c1ff Environmental → Air → Indoor EF 3.1 kg 2
b0915a5c-bb80-46b3-82de-626f307ee65f Environmental → Air → Long-term EF 3.1 kg 0
9d8d1c12-9070-4ae0-9129-d11e0badbbc9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1edbf9ee-06cd-4217-ab8e-91fffc5cce90 Environmental → Air → Unknown EF 3.1 kg 2
8a740923-4006-4225-ba55-e296fe9d1c60 Environmental → Ground → Agricultural EF 3.1 kg 2
6abea91f-31df-455e-9482-82bc1390c114 Environmental → Ground → Non-agricultural EF 3.1 kg 2
84111041-2290-41cd-893e-3322ff282a6e Environmental → Ground → Unknown EF 3.1 kg 2
f71a4318-0a82-43ed-94af-75021f40d147 Environmental → Water → Long-term EF 3.1 kg 0
db2f5a82-bad9-4c8a-87ed-c41750e54956 Environmental → Water → Ocean EF 3.1 kg 2
6f5b2213-51e7-4f10-a64e-46a9b748a4b9 Environmental → Water → Surface water EF 3.1 kg 2
4cbe0dbb-24bc-4357-9aff-c4ed505f2b98 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "1-Tetradecanol, fumarate",
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      "@value": "2-Butenedioic acid (2E)-, 1,4-ditetradecyl ester",
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      "@value": "2-Butenedioic acid (E)-, ditetradecyl ester",
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