Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3,5-Di-tert-butyl-4-hydroxybenzyl alcohol

Related Products

Hot Products

Name

3,5-Di-tert-butyl-4-hydroxybenzyl alcohol

EINECS 201-815-6
CAS No. 88-26-6 Density 1.005 g/cm3
PSA 40.46000 LogP 3.47950
Solubility Insoluble in water Melting Point 139-141 °C
Formula C15H24O2 Boiling Point 306.4 °C at 760 mmHg
Molecular Weight 236.354 Flash Point 131.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 88-26-6 (3,5-Di-tert-butyl-4-hydroxybenzyl alcohol) Hazard Symbols IrritantXi
Synonyms

Benzylalcohol, 3,5-di-tert-butyl-4-hydroxy- (6CI,7CI,8CI);2,6-Di-tert-butyl-4-hydroxymethylphenol;3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol;3,5-Di-tert-butyl-4-hydroxyphenylmethanol;4-Hydroxy-3,5-di-tert-butylbenzylalcohol;4-Hydroxymethyl-2,6-di-tert-butylphenol;AO 754;Ethanox 754;Ionox100;NSC 159133;

Article Data 39

3,5-Di-tert-butyl-4-hydroxybenzyl alcohol Consensus Reports

Reported in EPA TSCA Inventory.

3,5-Di-tert-butyl-4-hydroxybenzyl alcohol Specification

The IUPAC name of 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol is 2,6-ditert-butyl-4-(hydroxymethyl)phenol. With the CAS registry number 88-26-6, it is also named as 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol. The product's categories are Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30; Oxygen Compounds. In addition, its molecular formula is C15H24O2 and molecular weight is 236.35.

The other characteristics of this product can be summarized as: (1)EINECS: 201-815-6; (2)ACD/LogP: 3.68; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.67; (5)ACD/LogD (pH 7.4): 3.67; (6)ACD/BCF (pH 5.5): 365.54; (7)ACD/BCF (pH 7.4): 365.53; (8)ACD/KOC (pH 5.5): 2377.66; (9)ACD/KOC (pH 7.4): 2377.61; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 5; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 71.36 cm3; (15)Molar Volume: 235 cm3; (16)Surface Tension: 35 dyne/cm; (17)Density: 1.005 g/cm3; (18)Flash Point: 131.2 °C; (19)Melting point: 139-141 °C; (20)Enthalpy of Vaporization: 57.75 kJ/mol; (21)Boiling Point: 306.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000337 mmHg at 25 °C.

Preparation of 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol: this chemical can be prepared by 3,5-Di-tert-butyl-4-hydroxy-benzaldehyde.



This reaction needs NaBH4 and aq. NaOH.

Uses of 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol: it can be used to produce 3,5-Di-tert-butyl-4-hydroxy-benzaldehyde.



This reaction needs 2,3-dichloro-5,6-dicyanobenzoquinone (DDQ) and Dioxane at ambient temperature for 16 hours. The yield is 91 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO
(2)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
(3)InChIKey: HNURKXXMYARGAY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 7gm/kg (7000mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 669, 1970.
rat LDLo oral 7gm/kg (7000mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 669, 1970.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 88-26-6