Brightway Flows 1.0
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Dioctadecyl 3,3'-thiodipropionate

fo-3b637c63f631433a

Identity

Type
Neutral molecule
CAS
693-36-7
EC
211-750-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dioctadecyl 3,3'-thiodipropionate

Alternative labels

51

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PWWSSIYVTQUJQQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
IUPAC name chemrof:IUPAC_name Dioctadecyl 3,3'-thiodipropionate
Molecular formula chemrof:molecular_formula C42H82O4S
Molecular mass chemrof:molecular_mass 683.181
Monoisotopic mass chemrof:monoisotopic_mass 682.593382
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC

Known URLs

10

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=31852-10-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=693-36-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.683 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.046.206 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3027299 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=65493 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B40A12D0GL enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.106G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12738 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q13081806 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0bb67a17-6383-44e5-ac49-8e0dd0c2ded5 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
602fd67f-fe11-4250-ab15-2b247522ff5f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7e7408b1-c844-4784-b082-0e069ce216ae Environmental → Air → Indoor EF 3.1 kg 4
3acaadb2-0a51-47dc-a640-7dc319e1f577 Environmental → Air → Long-term EF 3.1 kg 0
d476b6ac-d98a-4ea0-bd19-f7b7504d2485 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
563c91d4-7ee6-4043-9510-db5fbdcb238a Environmental → Air → Unknown EF 3.1 kg 4
6ad90cd2-1067-4fd2-8bc2-a4fdf7712f20 Environmental → Ground → Agricultural EF 3.1 kg 4
6dbc3ecd-8ab4-4b87-a13b-bb04c17052a2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
194cbc03-06db-4e97-be78-61fac0cd21a7 Environmental → Ground → Unknown EF 3.1 kg 4
0e844c6c-cfca-4510-adaa-95652aa164dc Environmental → Water → Long-term EF 3.1 kg 0
1dabf291-7f3f-4b3b-b66e-17bf4666128f Environmental → Water → Ocean EF 3.1 kg 4
28a5ccbe-5b6b-4e36-b605-4d4e6729cc37 Environmental → Water → Surface water EF 3.1 kg 4
0d5f70e2-d688-4dc0-855b-ee0ebb0dcfb5 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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    {
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    {
      "@value": "Naugard DSTDP",
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    },
    {
      "@value": "Negonox DSTP",
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    },
    {
      "@value": "Plastanox STDP",
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    },
    {
      "@value": "Plastanox STDP Antioxidant",
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