Diethyl benzylmalonate

Basic Information

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CAS Number

607-81-8

Molecular Formula

C14H18O4

Molecular Weight

250.29 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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

164 - 166ºC

Boiling Point

300°C

Density

1.064 g/mL at 25 °C

Refractive Index

n20/D 1.486(lit.)

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

InChIKey

ICZLTZWATFXDLP-UHFFFAOYSA-N

LogP

1.9715

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

251

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

SCHEMBL165382
NSC631631
CS-W020389
UNII-40Y0X0XN6P
2-benzyl-malonic acid diethyl ester
NSC-8720
NS00044136
Propanedioic acid, (phenylmethyl)-, diethyl ester
40Y0X0XN6P
NSC41169
NSC-41169
SY049260
EN300-20770
Diethyl 2-benzylmalonate #
1,1-BIS(ETHOXYCARBONYL)-2-PHENYLETHANE
B0423
O11719
Benzylmalonic acid diethyl ester
Diethyl 2-benzylmalonate
NSC 8720
diethyl 2-benzylpropanedioate
Malonic acid, 2-benzyl-, diethyl ester
DTXSID4022078
Diethyl benzylmalonate, 98%
NSC8720
2-benzylmalonic acid diethyl ester
AKOS000120927
FT-0622854
DS-14643
benzyl-propanedioic acid diethyl ester
NSC-631631

MDL Number

MFCD00009166

Customs Code

29173980

FAQ

What is Diethyl benzylmalonate (CAS: 607-81-8)?

Diethyl benzylmalonate is an organic compound with the chemical formula C12H14O4. It is a colorless to light yellow liquid with a fruity scent. It is used in the production of fragrances and flavorings due to its pleasant aroma.

What are the main uses of Diethyl benzylmalate (CAS: 607-81-8)?

Diethyl benzylmalonate is primarily used in the flavor and fragrance industry as a synthetic ingredient to produce fruity and floral scents. It is also used in the production of perfumes, cosmetics, and as a food additive for its aroma qualities.

Is Diethyl benzylmalonate (CAS: 607-81-8) safe?

Diethyl benzylmalonate is considered safe for use in cosmetics and food additives when used at concentrations below the acceptable daily intake. However, it should be handled with care due to its potential skin and eye irritation. Adequate ventilation and protective gloves should be used during handling.

How should Diethyl benzylmalonate (CAS: 607-81-8) be stored?

Diethyl benzylmalonate 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 and light exposure. The storage temperature should not exceed 25°C. Avoid contact with incompatible materials such as strong acids and bases.