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(S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol, a chiral molecule with the chemical formula C20H22O, is known for its non-superimposable mirror image, existing in two enantiomeric forms. This versatile chemical compound finds applications in various industries, including pharmaceuticals, agrochemicals, and the fragrance sector.

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  • 112231-66-0 Structure
  • Basic information

    1. Product Name: (S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol
    2. Synonyms: (S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol
    3. CAS NO:112231-66-0
    4. Molecular Formula: C17H20O
    5. Molecular Weight: 240.34
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 112231-66-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 367 °C at 760 mmHg
    3. Flash Point: 173.1 °C
    4. Appearance: /
    5. Density: 1.018 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 9.91±0.26(Predicted)
    10. CAS DataBase Reference: (S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol(112231-66-0)
    12. EPA Substance Registry System: (S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol(112231-66-0)
  • 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: 112231-66-0(Hazardous Substances Data)

112231-66-0 Usage

Uses

Used in Pharmaceutical Industry:
(S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol is used as an active pharmaceutical ingredient for the development of new drugs, leveraging its potential anticancer and antioxidant properties. Its chiral nature allows for the creation of targeted therapies with fewer side effects.
Used in Agrochemical Industry:
In the agrochemical sector, (S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol is utilized as a key component in the synthesis of various agrochemicals, contributing to the development of effective and environmentally friendly pest control solutions.
Used in Fragrance Industry:
(S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol is employed as a fragrance ingredient in perfumes and other personal care products, adding unique scents and enhancing the sensory experience for consumers.
Used in Chromatography:
(S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol serves as a chiral resolution agent in chromatography, enabling the separation of enantiomers and facilitating the study of their distinct properties and potential applications.
Used in Organic Synthesis:
As a chiral building block, (S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol is incorporated into the synthesis of various organic compounds, contributing to the advancement of chemical research and the development of novel materials and pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 112231-66-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,2,3 and 1 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 112231-66:
(8*1)+(7*1)+(6*2)+(5*2)+(4*3)+(3*1)+(2*6)+(1*6)=70
70 % 10 = 0
So 112231-66-0 is a valid CAS Registry Number.

112231-66-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4'-[(2S)-2-Methylbutyl]-4-biphenylol

1.2 Other means of identification

Product number -
Other names -

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:112231-66-0 SDS

112231-66-0Downstream Products

112231-66-0Relevant articles and documents

A process for preparing S - (+) - 4 - (2 - methyl butyl) biphenol method

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Paragraph 0040; 0041, (2017/08/26)

The invention discloses a method of preparing S-(+)-4-(2-methylbutyl) xenol. The method comprises the following steps of firstly preparing S-(+)-4-(2-methylbutyl) acetylbiphenyl by taking S-(+)-4-(2-methylbutyl) diphenyl, acetylchloride and aluminum chloride as raw materials; reacting the obtained S-(+)-4-(2-methylbutyl) acetylbiphenyl with potassium persulfate serving as an oxidant to obtain the S-(+)-4-(2-methylbutyl) xenol; according to the method, the S-(+)-4-(2-methylbutyl) xenol is prepared through two-step reaction, and the method is simple in technological process and is suitable for batch production; the xenol prepared by the method is used for synthesizing a liquid crystal material for a TFT (Thin Film Transistor) display, and has a broad application prospect; the xenol serving as an inducing agent is used for a mixed liquid crystal formula, and further a product with high stability and low phase-transition temperature is obtained.

[...] compd. mesogene medium

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Paragraph 0221; 0222, (2016/11/14)

The invention relates to bimesogenic compounds of formula I wherein R11, R12, MG11, MG12, X11, X12 and Sp1 have the meaning given in claim 1, to the use of bimesogenic compounds of formula I in liquid crystal media and particular to flexoelectric liquid crystal devices comprising a liquid crystal medium according to the present invention. Furthermore the invention relates to bimesogenic compounds of formula I inducing a second nematic phase in nematic mixtures that do not show this additional phase without compounds of formula I.

Photochromic glassy liquid crystals comprising mesogenic pendants to dithienylethene cores

Kim, Chunki,Marshall, Kenneth L.,Wallace, Jason U.,Chen, Shaw H.

supporting information; experimental part, p. 5592 - 5598 (2010/03/03)

Photochromic glassy liquid crystals were synthesized using dithienylethenes as the volume-excluding cores to which liquid crystalline mesogens were chemically bonded through alkyl spacers. Nematic, smectic, and cholesteric glassy liquid crystals were demonstrated with glass transition temperatures above 90 °C and clearing points up to 220 °C without traces of crystallization on cooling or crystalline melting on heating. A monodomain cholesteric glassy liquid crystalline film containing an enantiomeric 2-methylpropylene chiral spacer was characterized as a left-handed helical stack, exhibiting a selective reflection band centered at 686 nm, an orientational order parameter of 0.65 for the quasi-nematic layers, and a combination of reflective coloration with photoswitchable absorptive coloration.

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