4-(Hydroxymethyl)-2,6-bis(2-methyl-2-propanyl)phenol

Basic Information

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CAS Number

88-26-6

Molecular Formula

C15H24O2

Molecular Weight

236.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Physical State

Solid

Melting Point

139.0 to 142.0 deg-C

Boiling Point

214°C 40mm

Density

0.9845 (rough estimate)

Flash Point

214°C/40mm

Refractive Index

1.5542 (estimate)

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO

InChI

InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3

InChIKey

HNURKXXMYARGAY-UHFFFAOYSA-N

LogP

3.479500000000003

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

223

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

BRN 2052291
W-100408
AO 754
88-26-6
2,6-Di-tert-butyl-4-hydroxymethyl-phenol
3,5-ditert.butyl-4-hydroxybenzyl alcohol
CS-0204438
D1480
3,5-Di-tert-butyl-4-hydroxybenzyl alcohol
2,6-ditert-butyl-4-(hydroxymethyl)phenol
DTXCID70211
2,6-di-tert.butyl-4-hydroxymethylphenol
4-hydroxymethyl-2,6-di-tert-butylphenol
Ionox 100
4-06-00-06080 (Beilstein Handbook Reference)
AM808204
Benzenemethanol, 4-hydroxy-3,5-di-tert.-butyl
Tox21_200631
A842513
AS-69598
MFCD00017254
SCHEMBL42656
CCRIS 7069
BHT alcohol
NSC-159133
NCGC00258185-01
CHEMBL225220
Benzyl alcohol,5-di-tert-butyl-4-hydroxy-
LS-2825
InChI=1/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H
NSC 159133

MDL Number

MFCD00017254

Customs Code

2907299090

FAQ

What are the physical and chemical properties of 4-(Hydroxymethyl)-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 88-26-6)?

4-(Hydroxymethyl)-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 88-26-6) is a crystalline solid with a molecular weight of approximately 288.37 g/mol. It has a low solubility in water (less than 1 g/L) and is soluble in organic solvents like ethanol and acetone. The compound is reactive towards bases and can undergo hydrolysis in basic conditions. It also shows some reactivity towards nucleophiles, making it suitable for various chemical transformations.

How is 4-(Hydroxymethyl)-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 88-26-6) typically synthesized?

4-(Hydroxymethyl)-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 88-26-6) is typically synthesized via a multistep process involving the condensation of 2,6-dimethylcyclohexanone with phenylhydrazine, followed by reduction and hydroxylation steps. Common catalysts used include palladium-based catalysts, and the reaction is performed under mild conditions to achieve good selectivity and high yield. The final product is purified by recrystallization or column chromatography.

What industries use 4-(Hydroxymethyl)-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 88-26-6)?

4-(Hydroxymethyl)-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 88-26-6) finds applications in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also used in the polymer industry for the modification of polymers to improve their mechanical properties. Additionally, it is employed in the production of sensors and semiconductors due to its unique chemical properties and reactivity.

What precautions should be taken when handling 4-(Hydroxymethyl)-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 88-26-6)?

When handling 4-(Hydroxymethyl)-2,6-bis(2-methyl-2-propanyl)phenol (CAS: 88-26-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and lab coat. The compound should be handled in a well-ventilated fume hood to minimize exposure to air and to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbent materials and proper disposal methods. Always refer to the Safety Data Sheet (SDS) for specific handling and storage instructions.