Basic information
- CAS
2937-61-3- Standard SMILES
OCc1cc(CO)c(O)c(CO)c1- InChIKey
LSYXXLMBRSSBGS-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Hydroxy-1,3,5-benzenetrimethanol
- IUPAC
- 2,4,6-tris(hydroxymethyl)phenol
- English name
- 2-hydroxybenzene-1,3,5-trimethanol
- Molecular formula
- C9H12O4
- Molecular weight
- 184.18918
Names & synonyms
2937-61-32,4,6-Trimethylol phenol1,3,5-Benzenetrimethanol, 2-hydroxy-2,4,6-trimethylolphenol2-hydroxy-1,3,5-benzenetrimethanol4JW5B05026DTXSID00183605RefChem:442970DTXCID00106096220-921-32-Hydroxybenzene-1,3,5-trimethanol2,4,6-tris(hydroxymethyl)phenol
Show more names
1-Hydroxybenzene-2,4,6-trimethanol4-Hydroxy-1,3,5-benzenetrismethanol
PHENOL, 2,4,6-TRIS(HYDROXYMETHYL)-AI3-26036EINECS 220-921-3(2-hydroxybenzene-1,3,5-triyl)trimethanolUNII-4JW5B050262,4,6-trihydroxymethylphenolSCHEMBL216792TRIS(HYDROXYMETHYL)PHENOL
Database identifiers
- CAS
2937-61-3- PubChem CID
- 76246
- DTXSID
DTXSID00183605- UNII
- 4JW5B05026
- EC Number
- 220-921-3
- Nikkaji
- J28.476I
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 70 · 70-75 °C(Solv: benzene (71-43-2))
- Boiling point
- 416.7 · 416.7±35.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 9.69 · 9.69±0.23(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 JW5B05026 · 4JW5B05026
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 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Applications
DescriptionTrimethylol phenol is an allergen in resins based on phenol and formaldehyde. Cross reactivity is possible with other phenol derivative molecules.
Suppliers10 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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