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1-Hydroxy-3,3-dimethyl-1-phenylbutan-2-one, also known as 3,3-dimethyl-1-phenyl-2-butanone monohydrate, is an organic compound with the molecular formula C12H16O2. It is a colorless to pale yellow liquid with a sweet, floral odor. This chemical is primarily used as a synthetic intermediate in the production of various fragrances and flavors, particularly in the creation of raspberry and strawberry aromas. It is also employed in the synthesis of pharmaceuticals and agrochemicals. Due to its reactivity, it is essential to handle 1-hydroxy-3,3-dimethyl-1-phenylbutan-2-one with care, following proper safety protocols to minimize potential health and environmental risks.

6050-53-9

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6050-53-9 Usage

Appearance

White to off-white crystalline powder The compound has a solid, crystalline structure with a white to off-white color.

Odor

Sweet, creamy, caramel-like The compound has a pleasant aroma that resembles sweetness, creaminess, and caramel.

Usage as a flavoring agent

Food and beverages Due to its sweet and pleasant aroma, it is used to add flavor to various food and beverage products.

Usage as a fragrance ingredient

Perfumes, cosmetics The compound's appealing scent makes it suitable for use in perfumes and cosmetic products to provide a pleasant smell.

Role in organic synthesis

Precursor compound The compound serves as a starting material or intermediate in the synthesis of other organic compounds, aiding in the creation of various chemical products.

Potential allergen

Health and safety concerns 1-hydroxy-3,3-dimethyl-1-phenylbutan-2-one has been identified as a possible allergen, and individuals should exercise caution when handling products containing 1-hydroxy-3,3-dimethyl-1-phenylbutan-2-one to avoid allergic reactions.

Check Digit Verification of cas no

The CAS Registry Mumber 6050-53-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,0,5 and 0 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 6050-53:
(6*6)+(5*0)+(4*5)+(3*0)+(2*5)+(1*3)=69
69 % 10 = 9
So 6050-53-9 is a valid CAS Registry Number.

6050-53-9SDS

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 1-hydroxy-3,3-dimethyl-1-phenylbutan-2-one

1.2 Other means of identification

Product number -
Other names 1-hydroxy-3,3-dimethyl-1-phenyl-butan-2-one

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:6050-53-9 SDS

6050-53-9Relevant academic research and scientific papers

Imidoyl chlorides as starting materials for the preparation of masked acyllithium intermediates: Synthetic applications

Alonso, Emma,Ramon, Diego J.,Yus, Miguel

, p. 12007 - 12028 (2007/10/03)

The lithiation of several imidoyl chlorides 5, catalysed by substoichiometric amounts of naphthalene, followed by reaction with different electrophiles gives, after hydrolysis, the corresponding imine derivatives 6 and 9 or amines 7, depending on the reac

Imidoyllithiums: Masked acyllithium reagents

Alonso, Emma,Ramon, Diego J.,Miguel, Yus

, p. 8903 - 8906 (2007/10/03)

The reaction of chloroimines 1 with an excess of lithium powder and a catalytic amount of naphthalene (4 mol %) in THF at -78°C leads to the corresponding imidoyllithium intermediates 2, which by treatment with different electrophiles [PriCHO, Bu(t)CHO, n-C5H11CHO, PhCHO, Et2CO, (CH2)5CO, EtOCOCl, MeOCSCl, n-C7H15CON(Me)OMe] at -78 to 20°C and final hydrolysis with water affords functionalysed imines 3. For starting material la is necessary to filter off the excess of lithium at the end of the lithiation step in order to get compounds 3, without filtration amines 4 are the reaction products isolated. Hydrolysis of compounds 3 either during chromatographic purification or by acidic hydrolysis (2 N HCl, THF) gives the expected functionalised ketones 5.

Synthesis of α-Hydroxy Ketones by Direct, Low-Temperature, in Situ Nucleophilic Acylation of Aldehydes and Ketones by Acyllithium Reagents

Seyferth, Dietmar,Weinstein, Robert M.,Hui, Richard C.,Wang, Wei-Liang,Archer, Colin M.

, p. 5620 - 5629 (2007/10/02)

The reaction of n-, sec-, and tert-butyllithium with CO at atmospheric pressure at -110 and -135 deg C in the appropriate solvent system in the presence of ketones and aldehydes generates the acyllithium, RC(O)Li, which reacts with the carbonyl compound to give the α-hydroxy ketone, generally in good yield.Reactions with aldehydes are limited in scope, working well with the t-BuLi-derived acyllithium reagents, but not with n-BuC(O)Li.

Synthesis of α-Ketols Mediated by Divalent Samarium Compounds

Collin, Jacqueline,Namy, Jean-Louis,Dallemer, Frederic,Kagan, Henri B.

, p. 3118 - 3122 (2007/10/02)

Coupling reactions of acid chlorides are mediated by SmI2 and SmCp2, leading to α-ketols 3.Condensation reactions of acid chlorides on aldehydes similarly product α-ketols 5; with ketones, best results are obtained with use of SmI2.Reactivities of SmI2 and SmCp2 are compared and mechanisms of the reactions discussed.Formation of an acylsamarium species is shown.

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