2,2,5-Trimethyl-1,3-dioxane-4,6-dione

Basic Information

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CAS Number

3709-18-0

Molecular Formula

C7H10O4

Molecular Weight

158.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

111-114 °C

Boiling Point

343.6℃ at 760 mmHg

Flash Point

183.4 °C

Refractive Index

1.4610 (estimate)

SMILES

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CC1C(=O)OC(OC1=O)(C)C

InChI

InChI=1S/C7H10O4/c1-4-5(8)10-7(2,3)11-6(4)9/h4H,1-3H3

InChIKey

KJMCAXYHYPDRAV-UHFFFAOYSA-N

LogP

0.4585999999999999

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

187

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

FT-0634986
2,2,5-trimethyl-1,3-dioxan-4,6-dione
D71065
1,3-Dioxane-4,6-dione, 2,2,5-trimethyl-
UNII-K6BV95MJT8
BCP03720
NSC233870
3709-18-0
InChI=1/C7H10O4/c1-4-5(8)10-7(2,3)11-6(4)9/h4H,1-3H3
NSC-233870
KJMCAXYHYPDRAV-UHFFFAOYSA-N
2,2,5-Trimethyl-1,3-dioxane-4,6-dione, 97%
SCHEMBL146063
MFCD00006637
A823529
Methyl Meldrum's acid
EINECS 223-050-7
AS-13414
KJMCAXYHYPDRAV-UHFFFAOYSA-
NSC 233870
DTXSID90190585
K6BV95MJT8
NS00030155
EN300-157893
CS-W016208
2,2,5-Trimethyl-1,3-dioxane-4,6-dione
SY042991
W-106569
AMY7670
2,2,5-Trimethyl-m-dioxane-4,6-dione
AKOS015904420

MDL Number

MFCD00006637

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 2,2,5-Trimethyl-1,3-dioxane-4,6-dione (CAS: 3709-18-0)?

2,2,5-Trimethyl-1,3-dioxane-4,6-dione (CAS: 3709-18-0) is regulated under the Globally Harmonized System (GHS) for classification as a hazardous substance. It falls under REACH regulations in the European Union, requiring registration if manufactured or imported in quantities above 1 ton per year. In the United States, FDA and EPA guidelines apply to its use in pharmaceutical and industrial applications. Specific handling and storage requirements are outlined in Material Safety Data Sheets (MSDS) and Safety Data Sheets (SDS).

Are there alternatives to 2,2,5-Trimethyl-1,3-dioxane-4,6-dione (CAS: 3709-18-0) in synthesis?

Yes, alternatives to 2,2,5-Trimethyl-1,3-dioxane-4,6-dione (CAS: 3709-18-0) include related cyclic ketones such as 2,2,4-trimethyl-1,3-dioxane-4,6-dione and 2,2,5,6,6-pentamethyl-1,3-dioxane-4,6-dione. Other potential substitutes include cyclic ethers and cyclic esters, which can serve similar roles depending on the specific chemical requirements. These alternatives may offer lower toxicity or better reactivity characteristics.

What is the market or research trend for 2,2,5-Trimethyl-1,3-dioxane-4,6-dione (CAS: 3709-18-0)?

The market for 2,2,5-Trimethyl-1,3-dioxane-4,6-dione (CAS: 3709-18-0) is primarily driven by its use in pharmaceutical intermediates, organic synthesis, and as a solvent. Recent research trends indicate increased interest in developing more sustainable and environmentally friendly alternatives. Additionally, there is a growing focus on its application in polymer chemistry and as a plasticizer. Market dynamics show a steady demand, with price fluctuations influenced by supply chain issues and regulatory changes.

How should waste containing 2,2,5-Trimethyl-1,3-dioxane-4,6-dione (CAS: 3709-18-0) be handled?

Waste containing 2,2,5-Trimethyl-1,3-dioxane-4,6-dione (CAS: 3709-18-0) should be collected in appropriate containers and stored in a well-ventilated area to prevent accumulation of flammable vapors. Neutralization or detoxification methods may be necessary before disposal. Incineration or professional waste disposal services are recommended to ensure compliance with environmental regulations. It is crucial to adhere to local and national waste disposal regulations and guidelines to minimize environmental impact.