2-methylpentane-2,4-diol
fo-5ff05efb236c1121
Identity
- Type
- Neutral molecule
- CAS
- 107-41-5
- EC
- 203-489-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
19- (±)-2-Methyl-2,4-pentanediol
- 1,1,3-trimethyl-1,3-propanediol
- 1,1,3-Trimethyltrimethylenediol
- 1,3,3-trimethyl-1,3-propanediol
- 1,3-dimethyl-3-hydroxybutanol
- 2,4-Dihydroxy-2-methylpentane
- 2,4-Pentanediol, 2-methyl-
- 2-Methyl pentane-2,4-diol
- 2-Methyl-2,4-pentandiol
- 2-Methyl-2,4-pentanediol
- 4-Methyl-2,4-pentanediol
- alpha,alpha,alpha'-trimethyltrimethylene glycol
- Diolane
- Hexalene glycol
- Hexasol
- Hexylene glycol
- Isohexanediol
- Isol
- α,α,α′-Trimethyltrimethylene glycol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 2-methylpentane-2,4-diol |
| Molecular formula chemrof:molecular_formula | C6H14O2 |
| Molecular mass chemrof:molecular_mass | 118.176 |
| Monoisotopic mass chemrof:monoisotopic_mass | 118.09938 |
| SMILES string chemrof:smiles_string | CC(O)CC(C)(C)O |
Known URLs
25Where 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=107-41-5 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/SAC5C10.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62995 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.173 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0660 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5021885 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8098 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2104293 | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G71802UT | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KEH0A3F75J | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2905.39.60.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.614E | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D04439 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77469 | enrich_references.pubchem_identifier_url |
| patent | patent:WO2010048675 | enrich_references.chebi_xrefs |
| ppdb | ppdb:1315 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7870 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/14524450 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20185893 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2529099 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/886995 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1098298 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1305548 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q2792203 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/2-Methyl-2,4-pentanediol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c475a5f3-3d14-4385-b0f7-ae6037cf533a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 367bbf12-7ace-49a5-acb0-a1235f8a0879 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f8a5cb16-7c7b-4c52-bf4f-0d056e33b6ef | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 75bd5856-080e-4a1b-87ff-e51e0e430570 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 85865785-11ad-42d0-8352-f5c36f64dac3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 40c45186-151c-473f-8ae7-9f78ebe3d463 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 708b05cf-be80-4a11-b47d-3e93cb306f20 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| dd6c3c37-b942-4ad9-8ca3-e6f398c68731 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 82cc9cec-d5b7-448b-a930-a610a10e17fa | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f9d008c2-28d3-41ae-b3b0-e2b6dc8a600d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e381b5ff-19f6-4323-b25d-a2776fa255a2 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 19fc455b-d5fe-4fc1-838c-4b6877023a55 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 2534575e-80a1-48d8-b13b-1d5661b50381 | 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