5-(1,1-Dimethylethyl)-2-hydroxy-1,3-benzenedimethanol

HCID 150981

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Basic information

CAS: 2203-14-7
Standard SMILES: CC(C)(C)c1cc(CO)c(O)c(CO)c1
InChIKey: SIBBGGADHQDMHI-UHFFFAOYSA-N
Molecular formula: C12H18O3
Average molar mass: 210.27 g/mol
Monoisotopic mass: 210.12559444

Overview

structure in first source

Names & identifiers

Preferred name: 5-(1,1-Dimethylethyl)-2-hydroxy-1,3-benzenedimethanol
IUPAC: 4-tert-butyl-2,6-bis(hydroxymethyl)phenol
English name: 1,3-Benzenedimethanol, 5-(1,1-dimethylethyl)-2-hydroxy-
Molecular formula: C12H18O3
Molecular weight: 210.27

Names & synonyms

2203-14-75-(1,1-Dimethylethyl)-2-hydroxy-1,3-benzenedimethanol2,6-Bis(ohme)-tbuphoh2,6-Bis(hydroxymethyl)-4-tert-butylphenolDTXSID60176497RefChem:83092DTXCID40989884-tert-butyl-2,6-bis(hydroxymethyl)phenol(5-(tert-Butyl)-2-hydroxy-1,3-phenylene)dimethanol1,3-Benzenedimethanol, 5-(1,1-dimethylethyl)-2-hydroxy-CBDivE_0059234-tert-butyl-2,6-di(hydroxymethyl)phenol

Show more names

4-TERT-BUTYL-2,6,BIS-HYDROXYMETHYL-PHENOL

Oprea1_659383(5-tert-butyl-2-hydroxy-1,3-phenylene)dimethanolSCHEMBL1966752,6-dimethylol-p-t-butylphenolSIBBGGADHQDMHI-UHFFFAOYSA-NALBB-016091AKOS0016752842,6-bis(hydroxymethyl)-4-t-butylphenol

Database identifiers

CAS: 2203-14-7
PubChem CID: 150981
DTXSID: DTXSID60176497
EC Number: 606-902-6
Nikkaji: J609.665D

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 60.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 184

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 88.2 · 88.2-89.0 °C(Solv: ligroine (8032-32-4))
Boiling point: 342.7 · 342.7±11.0 °C(Predicted)
Density: 1.154 · 1.154±0.06 g/cm3(Predicted)
pka: 10.12 · 10.12±0.23(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P261
HS Code: 2908990000 · 2908990000

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (108 of 108) of all reports.

Not Classified

Aggregated GHS information provided per 108 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

hs_code: 2908990000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P280-P261

Chemistry & industry

Applications

Uses4-tert-Butyl-2,6-bis(hydroxymethyl)phenol can be used as photosensitive resin composition containing polyimide, polybenzoxazole precursor for electroluminescent element.