2-methylbut-3-en-2-ol
fo-eec230b1fdb0da9e
Identity
- Type
- Neutral molecule
- CAS
- 115-18-4
- EC
- 204-068-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
23- 1,1-Dimethyl-2-propen-1-ol
- 1,1-Dimethyl-2-propenol
- 1,1-Dimethyl-2-propenyl alcoho
- 1,1-Dimethyl-2-propenyl alcohol
- 1,1-Dimethylallyl alcohol
- 2-Hydroxy-2-methyl-3-butene
- 2-methyl but-3-ene-2-ol
- 2-Methyl-2-hydroxy-3-butene
- 2-Methyl-3-buten-2-ol
- 2-Methyl-3-buten-2-yl alcohol
- 3-Buten-2-ol, 2-methyl-
- 3-Hydroxy-3-methyl-1-butene
- 3-hydroxy-3-methylbut-1-ene
- 3-Hydroxy-3-methylbutene
- 3-Methyl-1-buten-3-ol
- 3-Methyl-3-hydroxybutene
- alpha,alpha-Dimethylallyl alcohol
- CH2=CHC(CH3)2OH
- Dimethylvinylcarbinol
- Dimethylvinylmethanol
- Methylbutenol
- Vinyldimethylcarbinol
- α,α-Dimethylallyl alcohol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | HNVRRHSXBLFLIG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3 |
| IUPAC name chemrof:IUPAC_name | 2-methylbut-3-en-2-ol |
| Molecular formula chemrof:molecular_formula | C5H10O |
| Molecular mass chemrof:molecular_mass | 86.134 |
| Monoisotopic mass chemrof:monoisotopic_mass | 86.07316, 86.073165 |
| SMILES string chemrof:smiles_string | C=CC(C)(C)O |
Known URLs
30Where 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=115-18-4 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=60766-00-9 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132752 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.699 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1719 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3047471 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15977 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4245903 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SH64HE46L9 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0033854 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J65.753K | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C21402 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46243 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8257 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1987 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1993 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12371811 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19408044 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19673246 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20141889 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21203652 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24271564 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25015120 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25383749 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26112107 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26206495 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26302987 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27232720 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1698263 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q209432 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6ecfde26-8a8e-4b1c-acfd-70ea8a7f1fd1 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 5e9521b8-1861-4347-aa7d-ea23cf75c3eb | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 7db78e60-68cf-44e2-978e-a31059afc512 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| c6ada770-139f-43a5-ace9-95ae03f2e3f5 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4a13f4fd-bcad-4413-9b00-63be6f90106c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4c46ac80-741f-4f19-881b-440f3cb92b4a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| d94bcb01-c341-4dde-8fcb-82f1512099fa | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 268ad6f3-91de-47a4-8cbf-d70deb1fbe4a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| d8c038fd-1278-43ae-8300-75c59d359439 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 22aba86c-24ea-4b77-bf8c-60f70d7ded8d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ce0de030-b23b-4aa0-89c9-f752596678ae | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 8308d37b-b8b3-44d7-b6fc-defa0a508518 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 63450b36-b970-4c02-946e-4fc16ad3b238 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
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{
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{
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},
{
"@value": "alpha,alpha-Dimethylallyl alcohol",
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{
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{
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{
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{
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},
{
"@value": "Vinyldimethylcarbinol",
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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