Basic information
- CAS
18516-18-2- Standard SMILES
CC(C=O)(CO)CO- InChIKey
CBIFNLUPCWCNQT-UHFFFAOYSA-N- Molecular formula
- C5H10O3
- Average molar mass
- 118.13 g/mol
- Monoisotopic mass
- 118.06299418
Names & identifiers
- Preferred name
- 2,2-Bis(hydroxymethyl)propanal
- IUPAC
- 3-hydroxy-2-(hydroxymethyl)-2-methylpropanal
- English name
- 3-hydroxy-2-(hydroxymethyl)-2-methylpropionaldehyde
- Molecular formula
- C5H10O3
- Molecular weight
- 118.13
Names & synonyms
3-hydroxy-2-(hydroxymethyl)-2-methylpropanal18516-18-2DimethylolpropionaldehydePropanal, 3-hydroxy-2-(hydroxymethyl)-2-methyl-2,2-BIS(HYDROXYMETHYL)PROPANAL3-Hydroxy-2-(hydroxymethyl)-2-methylpropionaldehyde377M877SCTEINECS 242-393-3DTXSID4066381EC 242-393-3RefChem:440852DTXCID0035871
Show more names
2,2-Bis(hydroxymethyl)propionaldehyde3-Hydroxy-2-hydroxymethyl-2-methylpropanal2-(Hydroxymethyl)-2-methyl-3-hydroxypropanal3-Hydroxy-2-(hydroxymethyl)-2-methylpropionaldehyd
242-393-3SCHEMBL556820SCHEMBL961645UNII-377M877SCT2,2-bis(hy-droxymethyl)propanalMFCD224123392,2-bis (hydroxymethyl)propionaldehydeSY265867
Database identifiers
- CAS
18516-18-2- PubChem CID
- 87688
- DTXSID
DTXSID4066381- UNII
- 377M877SCT
- EC Number
- 242-393-3
- Nikkaji
- J222.230B
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 75.7
Physicochemical properties
- Density
- 1.29 · 1.29[at 20℃]
- Water Solubility
- 1003 g/L · 1003g/L at 20℃
- LogP
- 1.67 at · 1.67 at 35℃
- FDA UNII
- 377 M877SCT · 377M877SCT
- EPA Substance Registry System
- 3 · Propanal, 3-hydroxy-2-(hydroxymethyl)-2-methyl- (18516-18-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 90.2% (37 of 41) of all reports.
Not Classified
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPropanal, 3-hydroxy-2-(hydroxymethyl)-2-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanal, 3-hydroxy-2-(hydroxymethyl)-2-methyl-: ACTIVE
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
Loading…