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Hexyl p-methoxyphenyl ketone, also known as Isobutyl p-methoxycinnamate, is a clear, colorless to pale-yellow liquid with a sweet, floral, and honey-like odor. It is commonly used as a fragrance ingredient in various cosmetic and personal care products, as well as in the manufacture of flavorings and food additives.

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  • 69287-13-4 Structure
  • Basic information

    1. Product Name: HEXYL P-METHOXYPHENYL KETONE
    2. Synonyms: TIMTEC-BB SBB008394;P-METHOXYHEPTANOPHENONE;P-ANISYL HEXYL KETONE;1-(4-METHOXY-PHENYL)-HEPTAN-1-ONE;HEXYL P-METHOXYPHENYL KETONE;1-(4-Methoxyphenyl)-1-heptanone;NISTC69287134
    3. CAS NO:69287-13-4
    4. Molecular Formula: C14H20O2
    5. Molecular Weight: 220.31
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 69287-13-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 335.3 °C at 760 mmHg
    3. Flash Point: 139 °C
    4. Appearance: /
    5. Density: 0.968 g/cm3
    6. Vapor Pressure: 0.000121mmHg at 25°C
    7. Refractive Index: 1.493
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: HEXYL P-METHOXYPHENYL KETONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: HEXYL P-METHOXYPHENYL KETONE(69287-13-4)
    12. EPA Substance Registry System: HEXYL P-METHOXYPHENYL KETONE(69287-13-4)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 69287-13-4(Hazardous Substances Data)

69287-13-4 Usage

Uses

Used in Cosmetic Industry:
Hexyl p-methoxyphenyl ketone is used as a fragrance ingredient in various cosmetic and personal care products, such as perfumes, lotions, and soaps. It provides a sweet, floral scent with a hint of honey, making it a popular choice for adding a touch of warmth and sophistication to fragrances.
Used in Flavorings and Food Additives Industry:
Hexyl p-methoxyphenyl ketone is also used in the manufacture of flavorings and food additives, contributing to the sweet, floral, and honey-like flavor profile of various food products.
Regulation:
Hexyl p-methoxyphenyl ketone is considered safe for use in these applications and is regulated by various global regulatory bodies to ensure its safety for consumer use.

Check Digit Verification of cas no

The CAS Registry Mumber 69287-13-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,9,2,8 and 7 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 69287-13:
(7*6)+(6*9)+(5*2)+(4*8)+(3*7)+(2*1)+(1*3)=164
164 % 10 = 4
So 69287-13-4 is a valid CAS Registry Number.
InChI:InChI=1/C14H20O2/c1-3-4-5-6-7-14(15)12-8-10-13(16-2)11-9-12/h8-11H,3-7H2,1-2H3

69287-13-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-methoxyphenyl)heptan-1-one

1.2 Other means of identification

Product number -
Other names 4-methoxy-1-heptanoyl-benzene

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:69287-13-4 SDS

69287-13-4Relevant articles and documents

Development of Trifluoromethanesulfonic Acid-Immobilized Nitrogen-Doped Carbon-Incarcerated Niobia Nanoparticle Catalysts for Friedel-Crafts Acylation

Yang, Xi,Yasukawa, Tomohiro,Yamashita, Yasuhiro,Kobayashi, Shū

, p. 15800 - 15806 (2021/10/25)

Heterogeneous trifluoromethanesulfonic acid-immobilized nitrogen-doped carbon-incarcerated niobia nanoparticle catalysts (NCI-Nb-TfOH) that show excellent catalytic performance with low niobium loading (1 mol %) in Friedel-Crafts acylation have been developed. These catalysts exhibit higher activity and higher tolerance to catalytic poisons compared with the previously reported TfOH-treated NCI-Ti catalysts, leading to a broader substrate scope. The catalysts were characterized via spectroscopic and microscopic studies.

Generation and reaction of alkyl radicals in open reaction vessels

McErlean, Christopher S. P.,Tatunashvili, Elene

supporting information, p. 7818 - 7821 (2020/11/02)

An operationally simple process to transform alkyl iodides into reactive alkyl radicals is described. Aryl diazonium salts react with Hantzsch esters and molecular oxygen to give aryl radicals, which participate in halogen atom transfers to give alkyl radicals. These intermediates react with a variety of acceptors. The reaction cascade occurs at room temperature, in open reaction vessels, with short reaction times. This journal is

Ketide compounds, method for manufacturing, and use for treating diabetes thereof

-

Paragraph 0078; 0178-0181; 0235-0237, (2019/08/27)

The present invention relates to ketide compounds, as well as ketide compounds. The present invention relates to a method for preparing a ketide compound, and a use thereof, in which various anti-diabetic TMPA derivative designs can be induced, and is effective in comparison with existing multi-stage synthesis. In addition, the ketide compounds according to the present invention have strong AMPMPK activity and are expected to be useful as a therapeutic agent for diabetes. (by machine translation)

Acylation of anisole with carboxylic acids catalyzed by tungsten oxide supported on titanium dioxide

Okumura, Kazu,Iida, Masaki,Yamashita, Hajime

, (2019/06/11)

Friedel-Crafts (F-C) acylation of anisole with octanoic acid was carried out on tungsten oxide (WO3) supported on various types of oxide supports. We have found that the highest activity was obtained when TiO2 was used as the support. WO3/TiO2 was found to be active in the acylation of anisole with carboxylic acids of varying alkyl chain lengths (C6–C10). It was possible to recycle the WO3/TiO2 catalyst for up to 5 times without deactivation. The turnover frequency (TOF) of the catalyst was closely correlated with the electronegativity of the cation of the support used for WO3. When a strong basic oxide such as CeO2 was used as a support, the acid strength of WO3 was diminished, while the strong acidity of WO3 was retained on a weak basic support like TiO2. This explains why the acid strength and consequently, the activity, were found to be the highest for the WO3/TiO2 catalyst. The trend of the catalytic performance was consistent with the order of acid strength of WO3 on different supports measured by temperature-programmed desorption of NH3.

Pd-catalyzed Oxidative Cross-coupling of Alkyl Chromium(0) Fischer Carbene Complexes with Organoboronic Acids

Wang, Kang,Yang, Jinghui,Yao, Xingqi,Wang, Jianbo

supporting information, p. 3165 - 3168 (2018/10/15)

Alkyl chromium(0) carbene complexes have been explored as the cross-coupling partners in the palladium-catalyzed reaction with aryl or alkenyl boronic acids. This coupling reaction displays the versatile reactivities of alkyl chromium(0) carbenes under palladium catalysis. Mechanistically, this transformation is proposed to involve deprotonation of the alkyl chromium carbene substrate to generate a vinyl chromium anion intermediate that undergoes transmetalation to organopalladium species and reductive elimination.

Catalytic Ring-Opening of Cyclic Alcohols Enabled by PCET Activation of Strong O-H Bonds

Yayla, Hatice G.,Wang, Huaiju,Tarantino, Kyle T.,Orbe, Hudson S.,Knowles, Robert R.

, p. 10794 - 10797 (2016/09/09)

We report a new photocatalytic protocol for the redox-neutral isomerization of cyclic alcohols to linear ketones via C-C bond scission. Mechanistic studies demonstrate that key alkoxy radical intermediates in this reaction are generated via the direct homolytic activation of alcohol O-H bonds in an unusual intramolecular PCET process, wherein the electron travels to a proximal radical cation in concert with proton transfer to a weak Br?nsted base. Effective bond strength considerations are shown to accurately forecast the feasibility of alkoxy radical generation with a given oxidant/base pair.

Synthesis of Ketones through Microwave Irradiation Promoted Metal-Free Alkylation of Aldehydes by Activation of C(sp3)-H Bond

Zhang, Xinying,Wang, Zhangxin,Fan, Xuesen,Wang, Jianji

, p. 10660 - 10667 (2015/11/18)

In this paper, a novel methodology for the synthesis of ketones via microwave irradiation promoted direct alkylation of aldehydes by activation of the inert C(sp3)-H bond has been developed. Notably, the reactions were accomplished under metal-free conditions and used commercially available aldehydes and cycloalkanes as substrates without prefunctionalization. By using this novel method, an alternative synthetic approach toward the key intermediates for the preparation of the pharmaceutically valuable oxaspiroketone derivatives was successfully established.

Catalytic Friedel-Crafts acylation: Magnetic nanopowder CuFe 2O4 as an efficient and magnetically separable catalyst

Parella, Ramarao,Naveen,Kumar, Amit,Babu, Srinivasarao Arulananda

, p. 1738 - 1742 (2013/03/28)

Catalytic regioselective Friedel-Crafts acylation of an array of anisoles/arenes with various acid chlorides using 5-20 mol % of magnetic nanopowder CuFe2O4 is reported. Unlike the conventional Friedel-Crafts reactions, which are catalyzed by moisture sensitive homogeneous catalysts/promoters, the nanopowder CuFe2O4 catalyst is moisture insensitive and the product/ketone-catalyst isolation is easily achieved using the magnetic properties of CuFe2O4.

One-pot β-alkylation of secondary alcohols with primary alcohols catalyzed by ruthenacycles

Chang, Xu,Chuan, Low Wei,Yongxin, Li,Pullarkat, Sumod A.

experimental part, p. 1450 - 1455 (2012/04/10)

A ruthenacycle-catalyzed one-pot β-alkylation of secondary alcohols with primary alcohols is described. A survey of four C-N chelate ruthenacycles synthesized via the cyclometallation reaction of phenylmethanamine, N-methylphenylmethanamine, N,N-dimethylphenylmethanamine, and naphthalen-1-ylmethanamine with [(η6-C6H 6)RuCl2]2 was undertaken. All four complexes were found to be active with the phenylmethanamine-based ruthenacycle showing the best combination of reactivity and product selectivity among the four. An expanded scope of substrates was also studied with the inclusion of unsaturated primary alcohols. The reactivity trend observed gave insights into the role of hydrogen bonding in the catalytic mechanism involving transfer hydrogenation between the substrates and the transition metal catalyst.

Friedel-crafts acylation of arenes with carboxylic acids using polystyrene-supported aluminum triflate

Boroujeni, Kaveh Parvanak,Parvanak, Kamran

experimental part, p. 155 - 163 (2012/01/02)

Cross-linked polystyrene-supported aluminum triflate (Ps-Al(OTf) 3) has been shown to be a mild, efficient, and chemoselective heterogeneous Lewis acid catalyst for the acylation of aromatic compounds. The catalyst can be easily prepared from cheap starting materials, is stable (as a bench top catalyst) and is reusable.

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