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4-CHLORO-2-METHYLBENZYL ALCOHOL 97, a chemical compound with the molecular formula C8H9ClO, is a colorless to pale yellow liquid characterized by a mild, pleasant odor. This high-purity substance, typically containing 97% or more of the active ingredient, serves as a versatile intermediate in the synthesis of pharmaceuticals and agrochemicals. Additionally, it contributes to the fragrance industry as an ingredient in perfumes and cosmetics. Due to its potential to cause skin and eye irritation, it requires careful handling and storage in a cool, well-ventilated environment, away from heat and open flames.

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  • 129716-11-6 Structure
  • Basic information

    1. Product Name: 4-CHLORO-2-METHYLBENZYL ALCOHOL 97
    2. Synonyms: 4-CHLORO-2-METHYLBENZYL ALCOHOL 97;2-Methyl-4-chlorobenzyl alcohol
    3. CAS NO:129716-11-6
    4. Molecular Formula: C8H9ClO
    5. Molecular Weight: 156.611
    6. EINECS: N/A
    7. Product Categories: Benzhydrols, Benzyl & Special Alcohols;Alcohols;C7 to C8;Oxygen Compounds
    8. Mol File: 129716-11-6.mol
  • Chemical Properties

    1. Melting Point: 60-64 °C(lit.)
    2. Boiling Point: 258.8 °C at 760 mmHg
    3. Flash Point: 110.3 °C
    4. Appearance: /
    5. Density: 1.191g/cm3
    6. Vapor Pressure: 0.00686mmHg at 25°C
    7. Refractive Index: 1.558
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: soluble in Methanol
    10. CAS DataBase Reference: 4-CHLORO-2-METHYLBENZYL ALCOHOL 97(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-CHLORO-2-METHYLBENZYL ALCOHOL 97(129716-11-6)
    12. EPA Substance Registry System: 4-CHLORO-2-METHYLBENZYL ALCOHOL 97(129716-11-6)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 41
    3. Safety Statements: 26-39
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 129716-11-6(Hazardous Substances Data)

129716-11-6 Usage

Uses

Used in Pharmaceutical Industry:
4-CHLORO-2-METHYLBENZYL ALCOHOL 97 is used as a key intermediate in the synthesis of various pharmaceuticals, playing a crucial role in the development of new drugs and medications. Its unique chemical structure allows for the creation of a wide range of therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 4-CHLORO-2-METHYLBENZYL ALCOHOL 97 is utilized as an intermediate in the production of various agrochemicals, including pesticides and herbicides. Its involvement in the synthesis of these compounds contributes to agricultural productivity and crop protection.
Used in Fragrance Industry:
4-CHLORO-2-METHYLBENZYL ALCOHOL 97 is used as a fragrance ingredient in the production of perfumes and cosmetics, adding to the pleasant and appealing scents of these products. Its mild and pleasant odor makes it a valuable component in the creation of various fragrances.
Used in Cosmetic Industry:
In the cosmetic industry, 4-CHLORO-2-METHYLBENZYL ALCOHOL 97 is employed as a fragrance ingredient, enhancing the sensory experience of cosmetic products. Its incorporation into formulations contributes to the overall appeal and consumer satisfaction with these products.

Check Digit Verification of cas no

The CAS Registry Mumber 129716-11-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,9,7,1 and 6 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 129716-11:
(8*1)+(7*2)+(6*9)+(5*7)+(4*1)+(3*6)+(2*1)+(1*1)=136
136 % 10 = 6
So 129716-11-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H9ClO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3

129716-11-6 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Alfa Aesar

  • (H27554)  4-Chloro-2-methylbenzyl alcohol, 97%   

  • 129716-11-6

  • 1g

  • 730.0CNY

  • Detail
  • Alfa Aesar

  • (H27554)  4-Chloro-2-methylbenzyl alcohol, 97%   

  • 129716-11-6

  • 5g

  • 2547.0CNY

  • Detail

129716-11-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-Chloro-2-methylphenyl)methanol

1.2 Other means of identification

Product number -
Other names 4-Chloro-2-methylbenzyl 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:129716-11-6 SDS

129716-11-6Relevant articles and documents

LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT

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Page/Page column 69, (2011/02/24)

Fertility management can include: administering to the subject one or more doses of a compound according to Formula I so as to reduce fertility in the subject. Fertility management can also include administering an effective amount of the compound to: impair Sertoli cell function in a male subject; inhibit spermatogenesis in the subject; reduce testis weight in the subject; reduce ovary weight in a female subject; reduce serum progesterone in the female subject; impair ovarian follicle function in the female subject; causing reversible fertility in the subject. In order to return fertility, the method can include ceasing administration of the compound to the subject so as to return fertility in the subject. The compound can be administered for irreversibly sterilizing the subject.

Esters of 2-phenylalkanenitriles and antifungal compositions containing them

-

, (2008/12/06)

Esters of 2-phenylalkanenitriles, such as 3-acetoxy-2-(2-chloro-5-(difluoromethoxy)phenyl)propanenitrile and 3-acetoxy-2-(4-chlorophenyl)propanenitrile, and compositions containing such esters, are useful as fungicides at very low concentrations.

Lonidamine analogues and their use in male contraception and cancer treatment

-

Page/Page column 25, (2008/06/13)

Novel compounds useful for inhibiting spermatogenesis and cancer treatment, and in particular as inhibitors of heat shock proteins and/or elongation factor 1 alpha.

Novel 1,4-benzodiazepine-2,5-diones as Hdm2 antagonists with improved cellular activity

Leonard, Kristi,Marugan, Juan Jose,Raboisson, Pierre,Calvo, Raul,Gushue, Joan M.,Koblish, Holly K.,Lattanze, Jennifer,Zhao, Shuyuan,Cummings, Maxwell D.,Player, Mark R.,Maroney, Anna C.,Lu, Tianbao

, p. 3463 - 3468 (2007/10/03)

The disruption of the p53-Hdm2 protein-protein interaction induces cell growth arrest and apoptosis. We have identified the 1,4-benzodiazepine-2,5-dione scaffold as a suitable template for inhibiting this interaction by binding to the Hdm2 protein. Several compounds have been made with improved potency, solubility, and cell-based activities.

AKT PROTEIN KINASE INHIBITORS

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Page/Page column 120-121, (2008/06/13)

The present invention provides compounds, including resolved enantiomers, diastereomers, solvates and pharmaceutically acceptable salts thereof, comprising the Formula: A-L-CR where CR is a cyclical core group, L is a linking group and A is as defined herein. Also provided are methods of using the compounds of this invention as AKT protein kinase inhibitors and for the treatment of hyperproliferative diseases such as cancer.

SELECTIVITY AND MECHANISM IN THE MICROSOMAL BENZYLIC HYDROXYLATION

Amodeo, Rachele,Baciocchi, Enrico,Crescenzi, Manuela,Lanzalunga, Osvaldo

, p. 3477 - 3480 (2007/10/02)

The oxidation by rat liver microsomes of 4-Z-1,2-dimethylbenzenes (1) and 4-methoxybenzyltrimethylsilane (2) has been investigated.The reaction of the former substrates leads to the expected isomeric benzyl alcohols 3 and 4, with a very low intramolecular

Synthesis and antirhinovirus activity of 6-(dimethylamino)-2-(trifluoromethyl)-9-(substituted benzyl)-9H-purines

Kelley,Linn,Selway

, p. 1757 - 1763 (2007/10/02)

A series of 6-(dimethylamino)-2-(trifluoromethyl)-9-(substituted benzyl)purines was synthesized and tested for antirhinovirus activity. Most of the compounds were synthesized by alkylation of 6-chloro-2-(trifluoromethyl)-9H-purine with the appropriate benzyl halide followed by displacement of the chloro group with dimethylamine. Alternatively, 6-(dimethylamino)-2-(trifluoromethyl)purine was alkylated with the appropriate benzyl halide. Although several different aryl substituents provided compounds with IC50's = 0.03 μM against rhinovirus serotype 1B, no congener was significantly more active than the parent 2. Twenty-three compounds were tested against 18 other serotypes, but none exhibited a uniform profile of activity.

SELECTIVITY AND MECHANISM IN THE SIDE-CHAIN HALOGENATION OF METHYLBENZENES PROMOTED PHOTOCHEMICALLY AND BY METAL COMPLEXES IN THE PRESENCE OF HALIDE IONS

Baciocchi, Enrico,Crescenzi, Manuela

, p. 6525 - 6536 (2007/10/02)

The intramolecular selectivity in a variety of side-chain halogenations of alkyl-aromatics has been determined in AcOH by measuring the isomeric distribution in the reactions of 4-t-butyl- and 4-chloro-1,2-dimethylbenzene (1 and 2, respectively) with: Br2/hν, CAN/Br-, CAN=cerium(IV) ammonium nitrate, cobalt(III) acetate/Br-, S2O8=/Br-, N-bromosuccinimide (in CCl4), Cl2/hν, CAN/Cl-, cobalt(III) acetate/Cl-.In the bromination reactions selectivity is independent of the reaction conditions, thus suggesting that in all brominating systems Br. is the actual reacting species.Very surprisingly, with 1 as the substrate, Cl2/hν is a more selective system than Br2/hν.With 2 the two systems display similar selectivity.It has been suggested that in AcOH the transition state for photochlorination has an electron transfer character which increases as the substrate becomes more electron rich.The idea of a "variable" transition state for the photochlorination in AcOH is supported by data of relative reactivity of substituted toluenes indicating that the effect on the rate increases as the substituent becomes more electron donor.AcOH must have an essential role in this respect since in CCl4 situation returns to be "normal" with chlorination less selective than bromination.Selectivity of CAN/Cl- is very similar to that of Cl2/hν, whereas significant differences are observed with cobalt(III) acetate/Cl-.Probably Cl. and a cobalt(III) chloride complex are the reacting species in CAN/Cl- and cobalt(III) acetate/Cl-, respectively.

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