Neopentyl glycol
fo-bb20d8ef7b806cce
Identity
- Type
- Neutral molecule
- CAS
- 126-30-7
- EC
- 204-781-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
19- 1,3-dihydroxy-2,2-dimethylpropane
- 1,3-Propanediol, 2,2-dimethyl-
- 2,2-Bis(hydroxymethyl)propane
- 2,2-Dimethyl-1,3-dihydroxypropane
- 2,2-dimethyl-1,3-propanediol
- 2,2-Dimethyl-1,3-propylene glycol
- 2,2-Dimethylolpropane
- 2,2-Dimethylpropan-1,3-diol
- 2,2-dimethylpropane-1,3-diol
- 2,2-Dimethylpropanediol monoacrylate monomethacrylate
- 2,2-Dimethyltrimethylene glycol
- 3-Hydroxy-2,2-dimethylpropanol
- Dimethylolpropane
- Hydroxypivalyl alcohol
- Neeture N 40
- neopentanediol
- Neopentylene glycol
- neopentylglycol
- NPG glycol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SLCVBVWXLSEKPL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Neopentyl glycol |
| Molecular formula chemrof:molecular_formula | C5H12O2 |
| Molecular mass chemrof:molecular_mass | 104.149 |
| Monoisotopic mass chemrof:monoisotopic_mass | 104.08373 |
| SMILES string chemrof:smiles_string | CC(C)(CO)CO |
Known URLs
22Where 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:605291 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=126-30-7 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=77498-68-1 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:143768 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.347 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0305 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8027036 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=55836 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6366 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184801 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QI80HXD6S5 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2905.39.20.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.511I | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130632 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/31344 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2811 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017551 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30918372 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31000715 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1368162 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q413855 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Neopentyl_glycol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 579303f5-8558-402a-bdb4-b4afde01ae7a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| c4e3c82e-f2a4-48cb-82f5-4b90e747734a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| a3ff4fb5-686c-48e3-9335-9ed8ee89f934 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| a3da4451-ac81-44e6-86f5-0eea34c09d3a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 87da1659-e7cc-4c69-8611-55ac5896b89a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 7d84da3e-c5a6-4037-8998-befa8a9215cf | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| ba42523f-e7c9-4356-8a6d-eae38aa3ea5a | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| ed6c5ecc-bd36-4aa5-8ef8-4c74e27a994b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 8d6f987a-c99f-4239-ad23-4cc014d61c12 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d3a3ec7a-a481-4557-94ee-b577991046ab | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 499259ee-ff3f-4bb1-a3f2-dfa5f6e1dd16 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 21037013-3f0c-47fc-aca9-382437cd8deb | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 1db9f4fa-1b9e-4b91-91e9-c8e55c65c65e | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 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