Consensus flow list

Identity

Type
Neutral molecule
CAS
365411-50-3
EC
446-220-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Reaction Mass Of (4ar,8r,9bs)-7,7,8,9,9-pentamethyl-4,4a,5,6,7,8,9,9b-octahydroindeno[4,5-d][1,3]dioxine And (4ar,8s,9bs)-7,7,8,9,9-pentamethyl-4,4a,5,6,7,8,9,9b-octahydroindeno[4,5-d][1,3]dioxine

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NJQDALIDWNJDSW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H26O2/c1-10-15(2,3)12-7-6-11-8-17-9-18-14(11)13(12)16(10,4)5/h10-11,14H,6-9H2,1-5H3
IUPAC name chemrof:IUPAC_name 4,4a,5,6,7,8,9,9b-Octahydro-7,7,8,9,9-pentamethylindeno[4,5-d]-1,3-dioxin
Molecular formula chemrof:molecular_formula C16H26O2
Molecular mass chemrof:molecular_mass 250.382
Monoisotopic mass chemrof:monoisotopic_mass 250.19328
SMILES string chemrof:smiles_string CC1C(C)(C)C2=C(C3OCOCC3CC2)C1(C)C

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=365411-50-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.166.750 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80889173 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3A152H3F7R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.782.077F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15552386 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27256942 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
55344734-0c05-4050-978e-f974a345a037 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bc559929-7cb6-4997-a185-59b5f72d1257 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ed2bf17c-7a3c-417b-bf4f-419dd627c24b Environmental → Air → Indoor EF 3.1 kg 4
6e364aaa-4b52-4702-a04b-42196d1d034a Environmental → Air → Long-term EF 3.1 kg 0
6c77e229-15be-4c27-8ef2-c8122e72925a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e0a3aae7-6c50-414f-a13f-80d50dc92edc Environmental → Air → Unknown EF 3.1 kg 4
8118ceba-8fec-4432-abff-85f6ccc73774 Environmental → Ground → Agricultural EF 3.1 kg 4
2da2dcac-1597-44d2-92f7-54a4b187b404 Environmental → Ground → Non-agricultural EF 3.1 kg 4
52d0c112-02ae-4390-a551-e0d904e44205 Environmental → Ground → Unknown EF 3.1 kg 4
0a6c3fc9-6c44-418f-aac5-c2355cf56891 Environmental → Water → Long-term EF 3.1 kg 0
ccfff62d-17ed-4766-b1d5-1007bf8bfb78 Environmental → Water → Ocean EF 3.1 kg 4
f0b93b5e-5ed6-4a9e-9f22-ee5fbc6a23c5 Environmental → Water → Surface water EF 3.1 kg 4
e036b880-a241-49e5-bb18-301877464458 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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      "@value": "Reaction Mass Of (4ar,8r,9bs)-7,7,8,9,9-pentamethyl-4,4a,5,6,7,8,9,9b-octahydroindeno[4,5-d][1,3]dioxine And (4ar,8s,9bs)-7,7,8,9,9-pentamethyl-4,4a,5,6,7,8,9,9b-octahydroindeno[4,5-d][1,3]dioxine",
      "@language": "en",
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  "altLabel": [
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    },
    {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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