3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic Acid
fo-01d34fd442ac5e71
Identity
- Type
- Neutral molecule
- CAS
- 4767-03-7
- EC
- 225-306-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
16- 2,2-Bis(hydroxymethyl)propanoic acid
- 2,2-Bis(hydroxymethyl)propionic acid
- 2,2-Bis(methylol)propionic acid
- 2,2-Dihydroxymethylpropanoic acid
- 2,2-Dihydroxymethylpropionic acid
- 2,2-Dimethylolpropionic acid
- 3-Hydroxy-2-hydroxymethyl-2-methylpropionic acid
- Bis(hydroxymethyl)propionic acid
- Bis-MPA
- Dimethylolpropionic acid
- Nikkamer PA
- Propanoic acid, 2,2-bis(hydroxymethyl)-
- Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-
- Propionic acid, 2,2-bis(hydroxymethyl)-
- α,α-Bis(hydroxymethyl)propionic acid
- α,α-Dimethylolpropionic acid
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | PTBDIHRZYDMNKB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9) |
| IUPAC name chemrof:IUPAC_name | 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic Acid |
| Molecular formula chemrof:molecular_formula | C5H10O4 |
| Molecular mass chemrof:molecular_mass | 134.131 |
| Monoisotopic mass chemrof:monoisotopic_mass | 134.057909 |
| SMILES string chemrof:smiles_string | CC(CO)(CO)C(=O)O |
Known URLs
12Where 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=34590-77-7 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=4767-03-7 | enrich_references.consensus_cas_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:177432 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.023.006 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4027577 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=96616 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183172 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4NHI8V17MN | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.873A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/78501 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27260246 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Dimethylolpropionic_acid | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1cc0e773-c038-4548-a394-cb6c25265576 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 3eafa531-1874-4c86-9cf8-b8c39d3d60c1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| c38a6180-b024-4401-b4bd-59b86a502c0d | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4a912fb3-3308-46ca-8e3b-688ee5303234 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 05470faa-a0dd-4190-b224-73a0655ce2c2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 40cf93d2-bda6-4d94-b83c-8d5615a04dcc | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| badfb175-1bbe-4302-a57c-55fdf1b68432 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 5d38bfe2-4d87-4564-98c4-3af4bdf86789 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 9159a518-886b-4100-93e1-434116939b08 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 08e985b0-2eab-4ce3-8542-af70679f05c6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 31f73ee8-0d4c-4aea-8a41-0fe97154cb2a | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| f14003f1-bde9-48b1-945c-3efc90d93fe9 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| d6cb080c-3e4e-4524-8dac-69c89f4dc8be | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
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