2-methyl-2-propanol
fo-6ff6b22f554bba91
Identity
- Type
- Neutral molecule
- CAS
- 75-65-0
- EC
- 200-889-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
16- (CH3)3C-OH
- 1,1-dimethylethanol
- 2-Hydroxy-2-methylpropane
- 2-methylpropan-2-ol
- 2-Propanol, 2-methyl-
- t-BuOH
- t-butanol
- t-butyl alchohol
- t-Butylalkohol
- Tert-Bu-OH
- tert-butanol
- tert-butyl alcohol
- TERTIARY-BUTYL ALCOHOL
- trimethylcarbinol
- trimethylmethanol
- t-Butyl alcohol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DKGAVHZHDRPRBM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 2-methyl-2-propanol |
| Molecular formula chemrof:molecular_formula | C4H10O |
| Molecular mass chemrof:molecular_mass | 74.123 |
| Monoisotopic mass chemrof:monoisotopic_mass | 74.07316, 74.073165 |
| SMILES string chemrof:smiles_string | CC(C)(C)O |
Known URLs
28Where 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 |
|---|---|---|
| beilstein | beilstein:906698 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=75-65-0 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/EO1D5F88.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:45895 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.809 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0114 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8020204 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03900 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL16502 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:1833 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MD83SFE959 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031456 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.459A | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C21389 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44886 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C80660 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:TBU | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL16502 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6386 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1120 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11409007 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11452135 | enrich_references.chebi_xrefs |
| reaxys | reaxys:906698 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1363061 | enrich_references.pubchem_identifier_url |
| umbbd.compound | umbbd.compound:c0516 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q285790 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/T-butyl_alcohol | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Tert-Butyl_alcohol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e2fa8f95-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 5 |
| 08a91e70-3ddc-11dd-91ba-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 5 |
| 964093ae-3afa-43b2-a3b6-88dd4da7f562 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-91b9-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 1 |
| 08a91e70-3ddc-11dd-91bb-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 5 |
| 08a91e70-3ddc-11dd-91b8-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 5 |
| e2fa8f93-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| e2fa8f96-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e2fa8f98-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| e2fa8f9a-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e2fa8f97-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| e2fa8f94-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| e2fa8f99-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
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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