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2,5-Dimethyl-3,4-hexanedione is an organic compound with the chemical formula C8H14O2. It is a colorless liquid with a strong, pungent odor and is soluble in water. This ketone is commonly used as a synthetic intermediate in the production of various chemicals, such as perfumes, flavors, and pharmaceuticals. It is also known as 2,5-hexanedione or 2,5-hexanedione, and its molecular structure consists of a six-carbon chain with two methyl groups attached to the second and fifth carbon atoms, and a ketone group (C=O) between the third and fourth carbon atoms. Due to its reactivity, 2,5-dimethyl-3,4-hexanedione can undergo various chemical reactions, such as reduction, oxidation, and condensation, making it a versatile building block in organic synthesis.

4388-87-8

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4388-87-8 Usage

Physical state

Yellowish-green liquid

Odor

Pungent

Type of compound

Beta-diketone (contains two adjacent carbonyl groups)

Usage

Solvent, reagent in chemical synthesis (production of metal chelates), precursor in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals

Application in coordination chemistry

Forms stable complexes with various metals (e.g. copper, zinc, nickel)

Safety precautions

Handle and store with proper safety measures due to reactivity and potential health hazards.

Check Digit Verification of cas no

The CAS Registry Mumber 4388-87-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,3,8 and 8 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 4388-87:
(6*4)+(5*3)+(4*8)+(3*8)+(2*8)+(1*7)=118
118 % 10 = 8
So 4388-87-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H14O2/c1-5(2)7(9)8(10)6(3)4/h5-6H,1-4H3

4388-87-8SDS

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 2,5-dimethylhexane-3,4-dione

1.2 Other means of identification

Product number -
Other names Biisobutyryl

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:4388-87-8 SDS

4388-87-8Relevant academic research and scientific papers

Cobalt(II)-Catalyzed Reaction of Aldehydes with Acetic Anhydride under an Oxygen Atmosphere: Scope and Mechanism

Bhatia, Beena,Punniyamurthy, T.,Iqbal, Javed

, p. 5518 - 5523 (2007/10/02)

The reaction of aldehydes with acetic anhydride in the presence of catalytic cobalt(II) chloride under an oxygen atmosphere at ambient temperature is dependent upon the reaction medium.Aliphatic aldehydes react in acetonitrile to give 1,2-diones whereas the aromatic aldehydes are acylated to yield the corresponding acylals.On the other hand, carboxylic acids are obtained from aliphatic and aromatic aldehydes by conducting the reaction in dichloroethane or benzene.Cobalt(II) chloride in acetonitrile catalyzes the conversion of aliphatic aldehydes to the correspondinganhydrides in the absence of acetic anhydride whereas aromatic aldehydes remain largely unaffected under these conditions.A preliminary mechanistic study in three different solvents (i.e. acetonitrile, dichloroethane, and DMF) has revealed that in acetonitrile and in the presence of acetic anhydride, aliphatic aldehydes behave differently than aromatic aldehydes.Some trapping experiments using methyl acrylate and stilbene have been conducted to demonstrate the occurence of an acyl cobalt and peroxyacyl cobalt intermediate during these reactions.

Photochemistry in solution-XX. Triplet reactivity of aliphatic aldehydes

Kossanyi,Sabbah,Chaquin,Ronfart-Haret

, p. 3307 - 3315 (2007/10/02)

The triplet self-quenching process of three aliphatic aldehydes has been investigated by inhibition with dienes (taking into account the singlet interaction with the dienes) and by laser flash photolysis. The results obtained for intersystem crossing, the setf-quenching process and product formation have been rationalized. The main reactivity observed for the three aldehydes is the self-quenching process which occurs from both the singlet and triplet state. The laser flash photolysis experiments carried out with butanal show two absorptions of a transient at 320 aod 355 nm; no evidence for two different species could be put forward. The similar decay of the two absorption maximas of the transient, as the concentration of aldehyde is increased, would be indicative of only one single absorbing species which could be either the triplet state of the aldehyde or a radical-pair formed by the self-quenching process or the 1,4-biradical resulting from γ-H abstraction. The fact that both the quenching experiments (by dienes or by 1-methylnaphthalene) and the laser flash measurements lead to about the same lifetime also indicates only one species. The products formed from the triplet setf-quenching process have also been obtained by a different method: excitation of benzophenone at 365 nm in the presence of butanal. The quantum yields for product formation is about the same as those obtained for the triplet by direct irradiation of butanal, except that of octane-4,5-dione which is increased if the photoreaction is carried out at 365 nm in the presence of beazophenone.

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