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Benzenemethanol, 3-(1,1-dimethylethyl)-2-hydroxy-, also known as 3-tert-butyl-2-hydroxybenzyl alcohol or 3-tert-butylcatechol, is an organic compound with the chemical formula C11H16O2. It is a derivative of benzyl alcohol, featuring a tert-butyl group (1,1-dimethylethyl) at the 3-position and a hydroxyl group at the 2-position on the benzene ring. Benzenemethanol, 3-(1,1-dimethylethyl)-2-hydroxy- is a colorless to pale yellow liquid with a molecular weight of 180.24 g/mol. It is used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its unique structural properties and reactivity.

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  • 90905-81-0 Structure
  • Basic information

    1. Product Name: Benzenemethanol, 3-(1,1-dimethylethyl)-2-hydroxy-
    2. Synonyms:
    3. CAS NO:90905-81-0
    4. Molecular Formula: C11H16O2
    5. Molecular Weight: 180.247
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 90905-81-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzenemethanol, 3-(1,1-dimethylethyl)-2-hydroxy-(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzenemethanol, 3-(1,1-dimethylethyl)-2-hydroxy-(90905-81-0)
    11. EPA Substance Registry System: Benzenemethanol, 3-(1,1-dimethylethyl)-2-hydroxy-(90905-81-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 90905-81-0(Hazardous Substances Data)

90905-81-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 90905-81-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,0,9,0 and 5 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 90905-81:
(7*9)+(6*0)+(5*9)+(4*0)+(3*5)+(2*8)+(1*1)=140
140 % 10 = 0
So 90905-81-0 is a valid CAS Registry Number.

90905-81-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Benzenemethanol, 3-(1,1-dimethylethyl)-2-hydroxy-

1.2 Other means of identification

Product number -
Other names 3-tert-Butyl-2-hydroxybenzyl alcohol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:90905-81-0 SDS

90905-81-0Relevant articles and documents

PNO ligand containing planar chiral ferrocene and application thereof

-

Paragraph 0114-0118, (2021/06/21)

The invention discloses a PNO ligand containing planar chiral ferrocene and application thereof. The PNO ligand containing planar chiral ferrocene is a planar chiral ferrocene-containing and phenol-containing PNO ligand as shown in a general formula (I) or (II) which is described in the specification, or a planar chiral ferrocene-containing and aryl-phosphoric-acid-containingPNO ligand containing as shown in a general formula (III) or (IV) which is described in the specification, or a planar chiral ferrocene-containing and carbon-chiral-phenol-containingPNO ligand as shown in a general formula (V) or (VI) which is described in the specification. The invention provides tridentate PNO ligands and processes for their complexation with transition metal salts or transition metal complexes; the introduction of salicylaldehyde and derivatives thereof, which are simple and easy to obtain, enables the ligands to have a bifunctionalization effect, and -OH in a formed catalyst has stronger acidity and is beneficial to combination with N/O in polar double bonds. Therefore, due to the bifunctionalization effect of the catalyst, the interaction between the catalyst and a substrate can be greatly improved, so a reaction can obtain higher catalytic activity and stereoselectivity.

New dioxo-molybdenum(vi) and -tungsten(vi) complexes with N-capped tripodal N2O2 tetradentate ligands: Synthesis, structures and catalytic activities towards olefin epoxidation

Wong, Yee-Lok,Tong, Lok H.,Dilworth, Jonathan R.,Ng, Dennis K. P.,Lee, Hung Kay

supporting information; experimental part, p. 4602 - 4611 (2010/08/22)

A series of N2O2 tripodal tetradentate ligands derived from di-/tetra-tert-butyl substituted 2-[bis(2-hydroxybenzyl) aminomethyl]X (X = pyridine and benzimidazole) (H2Ln (n = 1-4)) and 8-[bis(3,5-di-tert-butyl-2-hydroxybenzyl)]aminoquinoline (H 2L5) were synthesised through a 4-step reaction scheme involving sequential formylation, reduction, bromination and alkylation. Treatment of H2Ln (n = 1-5) with [WO2Cl 2(dme)] (dme = 1,2-dimethoxyethane) in the presence of triethylamine gave the corresponding cis-dioxotungsten(vi) complexes [WO2(L n)] (n = 1-5). The corresponding molybdenum analogues [MoO 2(Ln)] (n = 1-5) were also prepared from the reaction of [MoO2(acac)2] (acac = acetylacetonate) with H 2Ln (n = 1-3) or [MoO2Cl2(dme)] (dme = 1,2-dimethoxyethane) with H2Ln (n = 4 and 5). All these compounds were fully characterised by a wide range of spectroscopic methods. The molecular structures of [MoO2(Ln)] (n = 2, 4) and [WO2(L2)] were also confirmed by single-crystal X-ray diffraction analysis. The catalytic activities of [MO2(L n)] (M = Mo, W; n = 1-4) towards epoxidation of styrene were also examined.

Mononuclear iron(III) complexes supported by tripodal N3O ligands: Synthesis, structure and reactivity towards DNA cleavage

Wong, Yee-Lok,Mak, Chun-Yin,Kwan, Hoi Shan,Lee, Hung Kay

experimental part, p. 1246 - 1253 (2010/07/05)

A new synthetic route to the known tripodal tetradentate N3O ligand L1 (HL1 = [N-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-di-(2-pyridylmethyl)]amine) is reported. The related compounds HLn (n = 2, 3) were prepared by a similar procedure. Treatment of HLn (n = 1-3) with FeCl3·6H2O in hot methanol led to the mononuclear iron(III) complexes [Fe(Ln)Cl2] (1: n = 1, 2: n = 2, 3: n = 3). The solid-state structures of complexes 1 and 2 were determined by X-ray crystallography. [Fe(L1)Cl2] (1) showed effective nuclease activity in the presence of hydrogen peroxide, converting supercoiled plasmid DNA to its linear form.

Synthesis, structures and catalytic properties of iron(III) complexes with asymmetric N-capped tripodal NO3 ligands and a pentadentate N 2O3 ligand

Tong, Lok H.,Wong, Yee-Lok,Pascu, Sofia I.,Dilworth, Jonathan R.

experimental part, p. 4784 - 4791 (2009/02/05)

A new family of N-capped tripodal NO3 proligands N,N-bis(2-hydroxy-3,5-di-tert-butylbenzyl)-N-(2'-hydroxy-5'-R-phenyl)amine [H3(Ln)] [when R= Me, n = 1; R= tBu, n = 2; R = Cl, n = 3] with different substituents in one of the aryl rings and N,N-bis(2-hydroxy-3-tert-butylbenzyl)-N-(2'-hydroxy-5'-methylphenyl)amine [H3(L4)] were synthesised. The preparation of a new pentadentate proligand N-methyl-N,N',N'-tris(2-hydroxy-3,5-di-tert-butylbenzyl) ethane-1,2-diamine [H3(L5)] with an N2O 3 donor set is also reported. Reaction of the proligands [H 3(Ln)] (n = 1-4) with iron(iii) chloride in the presence of base (triethylamine) and 1-methylimidazole (1-Meim) as co-ligand led to the formation of iron complexes of the type [Fe(Ln)(1-Meim)] (n = 1-4) (1-4) respectively, while treatment of the trilithium salt of [H 3(L5)] with iron(iii) chloride afforded [Fe(L 5)] (5). All complexes were structurally characterised by X-ray crystallography. In complexes 1-4, the ligands form five- and six-membered chelate rings with the iron centres which have distorted trigonal bipyramidal geometry with an N2O3 coordination environment. Complex 5 adopts a similar distorted trigonal bipyramidal geometry also with N 2O3 coordination around the iron centre. The catalytic activity of these iron complexes towards epoxidation of styrene was examined.

3,5-Di-(tert-Butyl)-6-fluoro-cycloSal-d4TMP - A Pronucleotide with a Considerably Improved Masking Group

Ducho, Christian,Wendicke, Silke,Goerbig, Ulf,Balzarini, Jan,Meier, Chris

, p. 4786 - 4791 (2007/10/03)

A new, considerably improved cycloSal masking group has been developed. This new group combines four desirable properties and has been attached to the anti-HIV drug 2′,3′-dideoxy-2′,3′-didehydrothymidine (d4T, 1) to give 3,5-(di-tert-butyl)-6-fluoro-cycloSal-d4TMP (2i). This phosphate triester has a reasonable chemical half-life, highly selectively released d4TMP, has poor - if any - inhibitory effect on butyrylcholinesterase (BChE), and achieved the TK-bypass. ( Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).

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