Basic information
- CAS
2937-59-9- Standard SMILES
OCc1cccc(CO)c1O- InChIKey
DECTVMOFPJKFOZ-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Overview
contact allergen; structure given in first source
Names & identifiers
- Preferred name
- 2,6-Bis(hydroxymethyl)phenol
- IUPAC
- 2,6-bis(hydroxymethyl)phenol
- English name
- m-xylene-2,alpha,alpha'-triol
- Molecular formula
- C8H10O3
- Molecular weight
- 154.16
Names & synonyms
2,6-bis(hydroxymethyl)phenol2937-59-92,6-Dimethylol phenol2,6-dimethylolphenol2,6-di-(hydroxymethyl)phenolF544Q2F96EDTXSID80183603RefChem:445736DTXCID80106094220-919-21,3-Benzenedimethanol, 2-hydroxy-m-Xylene-2,alpha,alpha'-triol
Show more names
2-Hydroxybenzene-1,3-dimethanol2-Hydroxy-1,3-benzenedimethanol2-Hydroxy-1,3-benzenebismethanol
EINECS 220-919-2UNII-F544Q2F96E(2-hydroxy-1,3-phenylene)dimethanolPHENALLOY 2175SCHEMBL196227SCHEMBL5180076DECTVMOFPJKFOZ-UHFFFAOYSA-DB-222700
Database identifiers
- CAS
2937-59-9- PubChem CID
- 76244
- DTXSID
DTXSID80183603- UNII
- F544Q2F96E
- EC Number
- 220-919-2
- Nikkaji
- J306.862E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Melting point
- 145 °C · 145 °C
- Boiling point
- 335.5 · 335.5±11.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 9.89 · 9.89±0.10(Predicted)
- FDA UNII
- 544 Q2F96E · F544Q2F96E
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 97.4% (37 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Applications
DescriptionThis substance is contained in res ins based on phenol and formaldehyde. Cross reactivity is possible with other phenol derivative molecules.
Upstream & downstream products
Downstream products
Suppliers4 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
卓萃新材料科技（上海）有限公司021-52836897 13917661608 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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