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METHYL 3-(3-OXOPROPYL)BENZOATE, a chemical compound with the molecular formula C12H14O3, is a colorless to pale yellow liquid characterized by its fruity and sweet aroma. It is recognized for its antifungal and antimicrobial properties, which extend its utility beyond fragrances to pharmaceutical and agricultural applications. Synthesized through the esterification of benzoic acid and 3-oxopropyl alcohol, METHYL 3-(3-OXOPROPYL)BENZOATE requires careful handling and storage due to its flammability and potential irritant nature.

111393-29-4

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111393-29-4 Usage

Uses

Used in Cosmetics and Personal Care Industry:
METHYL 3-(3-OXOPROPYL)BENZOATE is used as a fragrance ingredient for its appealing fruity and sweet scent, enhancing the sensory experience of cosmetics and personal care products.
Used in Pharmaceutical Industry:
METHYL 3-(3-OXOPROPYL)BENZOATE is used as an antimicrobial agent for its ability to combat fungi and bacteria, making it a potential component in treatments and preventive health products.
Used in Agricultural Industry:
METHYL 3-(3-OXOPROPYL)BENZOATE is used as a fungicide and antimicrobial agent to protect crops and enhance agricultural yields by controlling microbial and fungal infections.

Check Digit Verification of cas no

The CAS Registry Mumber 111393-29-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,1,3,9 and 3 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 111393-29:
(8*1)+(7*1)+(6*1)+(5*3)+(4*9)+(3*3)+(2*2)+(1*9)=94
94 % 10 = 4
So 111393-29-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H12O3/c1-14-11(13)10-6-2-4-9(8-10)5-3-7-12/h2,4,6-8H,3,5H2,1H3

111393-29-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-(3-oxopropyl)benzoate

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:111393-29-4 SDS

111393-29-4Relevant academic research and scientific papers

Divergent Diels-Alder methodology from methyl coumalate toward functionalized aromatics

Lee, Jennifer J.,Kraus, George A.

supporting information, p. 2366 - 2368 (2013/06/26)

An inverse electron-demand Diels-Alder reaction between methyl coumalate and electron-rich dienophiles produces substituted benzoates. A high-yielding, single-pot procedure transforms readily accessible vinyl ether, ketal, or orthoester dienophiles into functionalized aromatic systems in a versatile route.

Synthesis of xanthenes, Indanes, and tetrahydronaphthalenes via intramolecular phenyl-carbonyl coupling reactions

Kuo, Chih-Wei,Fang, Jim-Min

, p. 877 - 892 (2007/10/03)

Benzaldehydes and acetophenones bearing tethered carbonyl chains underwent the intramolecular phenyl-carbonyl coupling reactions, by mediation of samarium diiodide and hexamethylphosphoramide, to afford the xanthenes and fused benzocarbocyclic compounds c

Synthesis and biological activity of new 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) synthase inhibitors: 2-oxetanones with a side chain mimicking the folded structure of 1233A.

Hashizume,Ito,Yamada,Nagashima,Kanao,Tomoda,Sunazuka,Kumagai,Omura

, p. 512 - 520 (2007/10/02)

To mimic the folded side chain conformation of 1233A (1), which is a 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) synthase inhibitor, 1233A analogs with aromatic rings in the side chain were synthesized. The 2-oxetanone moiety was kept intact. Among 1233A and its synthetic analogs, trans-3-hydroxymethyl-4-[2-(7-methoxycarbonyl-1-naphthyl)ethyl]-2-oxe tanone (23) showed the highest HMG-CoA synthase inhibitory activity in vitro. The structure-activity relationship at the side chain is discussed.

Organic compounds and their pharmaceutical use

-

, (2008/06/13)

There are provided anti-allergic pharmaceutical compounds of formula: STR1 in which n is 0, 1 or 2; R1 is a hydrocarbyl group containing 6 to 30 carbon atoms and optionally substituted with an optionally substituted phenyl group; R2

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