Diethyl ethyl(2-pentanyl)malonate

Basic Information

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CAS Number

76-72-2

Molecular Formula

C14H26O4

Molecular Weight

229.3 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CCCC(C)C(CC)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C14H26O4/c1-6-10-11(5)14(7-2,12(15)17-8-3)13(16)18-9-4/h11H,6-10H2,1-5H3

InChIKey

ZQGOJSLHZOKIBV-UHFFFAOYSA-N

LogP

1.132

Topological Polar Surface Area

66.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

255

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

SCHEMBL8013777
ZQGOJSLHZOKIBV-UHFFFAOYSA-N
AKOS000282874
AI3-11057
Diethyl 2-ethyl-2-(1-methylbutyl)malonate #
PROPANEDIOIC ACID, 2-ETHYL-2-(1-METHYLBUTYL)-, 1,3-DIETHYL ESTER
1,3-diethyl 2-ethyl-2-(pentan-2-yl)propanedioate
Propanedioic acid, ethyl(1-methylbutyl)-, diethyl ester
diethyl 2-ethyl-2-pentan-2-ylpropanedioate
Diethyl2-ethyl-2-(pentan-2-yl)malonate
Diethyl ethyl(1-methylbutyl)malonate
ETHYL 2-ETHYL-2-(1-METHYLBUTYL)MALONATE
4-methylheptane-5,5-dicarboxylic acid diethyl ester
Diethyl 2-ethyl-2-(pentan-2-yl)malonate
Malonic acid, ethyl(1-methylbutyl)-, diethyl ester
Ethyl(1-methylbutyl)-malonic acid diethylester
EINECS 200-981-7
UNII-6LWT1P8JUR
Q27265123
A838807
NSC 10824
6LWT1P8JUR
MFCD00129160
AKOS022182105
MALONIC ACID, ETHYL(.ALPHA.-METHYLBUTYL)-, DIETHYL ESTER
NSC10824
AS-15163
EC 200-981-7
FT-0631327
Ethyl(1-methylbutyl)malonic acid diethyl ester
DTXSID601018955

MDL Number

MFCD00129160

FAQ

What is Diethyl ethyl(2-pentanyl)malonate (CAS: 76-72-2)?

Diethyl ethyl(2-pentanyl)malonate (CAS: 76-72-2) is a colorless or light yellow liquid with a high boiling point and low volatility. It is characterized by its ability to form stable ester compounds and is used in various industries due to its chemical properties.

What are the main uses of Diethyl ethyl(2-pentanyl)malonate (CAS: 76-72-2)?

Diethyl ethyl(2-pentanyl)malonate (CAS: 76-72-2) is primarily used in the pharmaceutical, cosmetic, and fragrance industries. It serves as a raw material for synthesizing drugs, fragrances, and can also be used as a flavoring agent in food products.

Is Diethyl ethyl(2-pentanyl)malonate (CAS: 76-72-2) safe?

Diethyl ethyl(2-pentanyl)malonate (CAS: 76-72-2) is generally considered safe when used according to industrial standards. However, it is important to follow safety guidelines, including proper handling, ventilation, and protective measures to prevent inhalation or skin contact.

How should Diethyl ethyl(2-pentanyl)malonate (CAS: 76-72-2) be stored?

Diethyl ethyl(2-pentanyl)malonate (CAS: 76-72-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption and degradation. Storage temperature should be below 30°C (86°F) to ensure stability and safety.