2-methyl-2-butanol
fo-2aa1fc0b7fb8e5f4
Identity
- Type
- Neutral molecule
- CAS
- 75-85-4
- EC
- 200-908-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
19- 1,1-dimethyl-1-propanol
- 2-Butanol, 2-methyl-
- 2-Ethyl-2-propanol
- 2-Hydroxy-2-methylbutane
- 2-Methyl-2-hydroxybutane
- 2-methylbutan-2-ol
- 2M2B
- 3-methylbutan-3-ol
- amylene hydrate
- dimethyl ethyl carbinol
- dimethylethylcarbinol
- ethyl dimethyl carbinol
- ethyldimethylcarbinol
- t-amyl alcohol
- t-pentyl alcohol
- tert-amyl alcohol
- tert-isoamyl alcohol
- tert-pentanol
- tert-pentyl alcohol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MSXVEPNJUHWQHW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 2-methyl-2-butanol |
| Molecular formula chemrof:molecular_formula | C5H12O |
| Molecular mass chemrof:molecular_mass | 88.15 |
| Monoisotopic mass chemrof:monoisotopic_mass | 88.088815, 88.08882 |
| SMILES string chemrof:smiles_string | CCC(C)(C)O |
Known URLs
29Where 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 |
|---|---|---|
| agr | agr:IND44134909 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=75-85-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132750 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.827 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0041436 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=25498 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760354 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL44658 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/69C393R11Z | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0033772 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.164E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D02931 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C21401 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D02931 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46201 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-19059 | enrich_references.chebi_xrefs |
| patent | patent:EP0325144 | enrich_references.chebi_xrefs |
| patent | patent:US2858331 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6405 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1105 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10367338 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18615524 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22194447 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22752178 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25112153 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8736060 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1361351 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q209428 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Tert-Amyl_alcohol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e2fa8fb2-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 5 |
| 4d9a8790-3ddd-11dd-9aef-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 5 |
| 60567d84-b445-4b36-a25c-423dafa03849 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9aee-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 1 |
| 4d9a8790-3ddd-11dd-9af0-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 5 |
| 4d9a8790-3ddd-11dd-9aed-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 5 |
| e2fa8fb0-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| e2fa8fb3-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e2fab690-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| e2fab692-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e2fa8fb4-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| e2fa8fb1-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| e2fab691-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-2aa1fc0b7fb8e5f4",
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{
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},
{
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{
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{
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{
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{
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{
"@value": "ethyl dimethyl carbinol",
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{
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{
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{
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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