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1(3H)-Isobenzofuranone, 4,7-diMethyl- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

54598-91-3

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54598-91-3 Usage

Molecular Weight

194.20 g/mol

Appearance

Colorless to pale yellow crystalline solid

Aroma

Sweet, floral, and slightly spicy

Perfumes

Used for its fragrant properties

Soaps

Added for its pleasant scent

Scented Products

Enhances the fragrance of various products

Flavoring Agent

Used in food and beverages for its sweet taste

Baked Goods

Adds a pleasant taste to baked products

Candy

Enhances the flavor of confectionery items

Drinks

Used to improve the taste of various beverages

Solubility

Soluble in organic solvents like ethanol and acetone, slightly soluble in water

Stability

Stable under normal temperature and pressure conditions

Safety

Generally recognized as safe (GRAS) by the US FDA for use in the flavor industry

Regulatory Status

Approved for use in the European Union and the United States

Synonyms

4,7-Dimethyl-2H-chromen-2-one, 4,7-Dimethyl-2-benzopyran-2-one, Tonkin

Chemical Structure

A coumarin derivative with two methyl groups at positions 4 and 7 on the benzopyran ring

Functional Groups

Isobenzofuranone, methyl groups, and a lactone ring

Synthesis

Typically synthesized through the Pechmann condensation reaction involving phenol and β-ketoester

Melting Point

Approximately 65-67°C (149-153°F)

Boiling Point

Not well-defined due to decomposition at high temperatures

Density

No specific value available, but expected to be similar to other coumarin derivatives

Hazards

May cause skin and eye irritation; avoid inhalation of dust or vapors

Check Digit Verification of cas no

The CAS Registry Mumber 54598-91-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,4,5,9 and 8 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 54598-91:
(7*5)+(6*4)+(5*5)+(4*9)+(3*8)+(2*9)+(1*1)=163
163 % 10 = 3
So 54598-91-3 is a valid CAS Registry Number.

54598-91-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,7-dimethyl-3H-2-benzofuran-1-one

1.2 Other means of identification

Product number -
Other names 1,3-2H-Isobenzofuran0ne,4,7-dimethyl

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:54598-91-3 SDS

54598-91-3Relevant academic research and scientific papers

PROCESS FOR PREPARING SUBSTITUTED PENTACENES

-

Page/Page column 32-33; 8; Sheet 3, (2008/12/08)

The invention relates to a process of preparing substituted pentacenes, to novel pentacenes prepared by this process, to the use of the novel pentacenes as semiconductors or charge transport materials in optical, electrooptical or electronic devices inclu

(Nitroaryl)sulfinyl-Substituted Allenes. Novel and Convenient Propargyl Alcohol Synthons in 4 + 2 Cycloaddition Chemistry

Padwa, Albert,Bullock, William H.,Norman, Bryan H.,Perumattam, John

, p. 4252 - 4259 (2007/10/02)

(Nitroaryl)sulfinyl-substituted allenes are conveniently prepared by treating propargyl alcohol or methyl 3-hydroxy-2-butynoate with a (nitroaryl)sulfenyl chloride and triethylamine.These activated allenes undergo 4 + 2 cycloaddition across the C1C2 α-bond.The initially formed allylic sulfoxide readily undergoes a 2,3-sigmatropic rearrangement to produce a stable sulfenate ester that is easily cleaved with thiophilic reagents.The dienophilic reactivity of the (nitroaryl)sulfinyl-substituted allene is much greater than the corresponding propargyl alcohol, and the cycloaddition also proceeds with high regioselectivity.The Diels-Alder reaction of propadiene with Danishefsky's diene affords meta-substituted benzyl alcohols in high yield.Reaction of the more highly activated methyl 2--2,3-butadienoate with Danishefsky's diene followed by treatment of the resulting sulfenate ester with triethyl phosphite produces substituted phthalides in excellent yield.The (2,4-dinitrophenyl)sulfinyl-substituted allene was found to react smoothly with a variety of nitrones to give sulfenate esters of isoxazolidines.These allenyl sulfoxides correspond to formal equivalents of propargyl alcohol, which itself is too unreactive to undergo Diels-Alder chemistry or 1,3-dipolar cycloaddition with nitrones or nitrile oxides.

Quinones,10. - Synthesis of 3-tert-Butyl-5,8-dimethyl-1,10-anthraquinone

Setiabudi, Frans,Boldt, Peter

, p. 1272 - 1279 (2007/10/02)

The title compound 3f is a novel isolable 1,10-anthraquinone which is stabilized only by alkyl groups.Despite of the shielding of the meso position 3f reacts very fast with water and oxygen to give 3-tert-butyl-1-hydroxy-5,8-dimethyl-9,10-anthraquinone (4f).

Ring-chain tautomerism as a factor in the reaction between Grignard reagents and substituted phthalides

Smith,Wikman

, p. 2603 - 2611 (2007/10/04)

With phthalide two equivalents of Grignard reagent react rapidly in a reaction which could not be controlled to give stepwise addition. In contrast, 3,3- and 4,7-disubstituted phthalides react with only one equivalent of organometallic reagent. The primary addition product formed from one equivalent each of phthalide and Grignard reagent exists in a ring-chain tautomerism whose position is controlled by the interaction between the substituents present in the phthalide and the alkyl group introduced by the Grignard reagent. With substituted phthalides, ring opening of the primary addition product is prevented by these interactions and thus a second equivalent of Grignard reagent does not react. In the absence of substituents, ring opening and the reaction of a second equivalent occurs. Somewhat related effects appear to exist in the reaction between Grignard reagents and phthalic anhydride and in the dehydration of substituted phthalyl alcohols to their corresponding phthalans.

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