2,2,4,4-tetramethylcyclobutane-1,3-diol
fo-e3dc7c637f919d1b
Identity
- Type
- Neutral molecule
- CAS
- 3010-96-6
- EC
- 221-140-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
6- 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-
- 1,3-Dihydroxy-2,2,4,4-tetramethylcyclobutane
- 2,2,4,4-Tetramethyl-1,3-cyclobutandiol
- 2,2,4,4-Tetramethyl-1,3-cyclobutanediol
- 2,4-Dihydroxy-1,1,3,3-tetramethylcyclobutane
- Tetramethyl-1,3-cyclobutanediol
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FQXGHZNSUOHCLO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H16O2/c1-7(2)5(9)8(3,4)6(7)10/h5-6,9-10H,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 2,2,4,4-tetramethylcyclobutane-1,3-diol |
| Molecular formula chemrof:molecular_formula | C8H16O2 |
| Molecular mass chemrof:molecular_mass | 144.214 |
| Monoisotopic mass chemrof:monoisotopic_mass | 144.11503 |
| SMILES string chemrof:smiles_string | CC1(C)C(O)C(C)(C)C1O |
Known URLs
16Where 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=3010-96-6 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.019.219 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.245.583 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID301263004 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9044908 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=46473 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=92373 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186932 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V3G697089H | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V7WK40I307 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.038.568G | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.311J | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J610.608K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/76382 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q3214022 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/2,2,4,4-Tetramethyl-1,3-cyclobutanediol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| de7e96f7-28b1-49b8-8163-2a5dbf87aca8 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| ddb5bd1c-d9a1-487d-98d6-6f3602cd0bf8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| ffbd380a-3732-415f-aefe-ebd57ee9bead | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| d66780fd-0df5-446c-b328-aab7992154c4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a9f48d7e-04c2-4887-9efe-7c0345fa91b2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 916e1406-0cd7-4da0-978b-eacd251568a3 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 070d8df1-e77d-4096-9cbb-dca0bb064bb7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 71e7960f-4c10-48f8-988b-bd9a8093ebfb | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ab59d2a9-f653-47df-867e-6b73bdeea6d6 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c15843d2-3b00-495a-b626-d34fa75518e2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9fa175e2-565d-438b-a31e-98998d302943 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 9f386534-8b75-4ab1-98a2-a8094c6337f2 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 4e431bee-8133-47d4-8385-305a9b97f7c4 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"221-140-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=221-140-0"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works