Calcium bis(2-oxo-3-phenylpropanoate)

Basic Information

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CAS Number

51828-93-4

Molecular Formula

C18H14CaO6

Molecular Weight

366.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

280-285°C (dec.)

SMILES

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C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C9H8O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,11,12);/q;;+2/p-2

InChIKey

BKMMOJVSLBZNTK-UHFFFAOYSA-L

LogP

1.61140

Complexity

175

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

CALCIUM 2-OXO-3-PHENYLPROPIONATE [WHO-DD]
C18H14CaO6
calcium bis(2-oxo-3-phenylpropanoate)
calcium;2-oxo-3-phenylpropanoate
A828802
Q27268903
Calcium2-oxo-3-phenylpropanoate
AKOS015965095
FT-0640030
NS00088378
PHENYLPYRORACEMIC ACID CALCIUM SALT
AKOS015905788
Calcium bis(3-phenylpyruvate)
SCHEMBL3408857
SB67350
DTXSID00199786
51828-93-4
ALPHA-KETOPHENYLALANINE CALCIUM
Calcium 2-oxo-3-phenylpropionate
UNII-7V9Q5UU79A
calcium 2-oxo-3-phenylpropanoate
EINECS 257-455-5
7V9Q5UU79A
.ALPHA.-KETOPHENYLALANINE CALCIUM
BENZENEPROPANOIC ACID, .ALPHA.-OXO-, CALCIUM SALT
BENZENEPROPANOIC ACID, .ALPHA.-OXO-, CALCIUM SALT (2:1)
Calcium 2-oxo-3-phenylpropanoate
CALCIUM ALPHA-KETO-BETA-PHENYLPROPIONATE
CALCIUM PHENYLPYRUVATE
ALPHA-KETOPHENYLALANINE CALCIUM SALT
ALPHA-KETO-DL-PHENYLALANINE CALCIUM SALT

MDL Number

MFCD00037200

Customs Code

2918300090

FAQ

What is Calcium bis(2-oxo-3-phenylpropanoate) (CAS: 51828-93-4)?

Calcium bis(2-oxo-3-phenylpropanoate) (CAS: 51828-93-4) is a calcium salt derived from 2-oxo-3-phenylpropanoic acid. It is a white to off-white powder with a characteristic odor. This compound is soluble in water and has a molecular formula of C14H13CaO5.

What are the main uses of Calcium bis(2-oxo-3-phenylpropanoate) (CAS: 51828-93-4)?

Calcium bis(2-oxo-3-phenylpropanoate) (CAS: 51828-93-4) is primarily used as a chelating agent in pharmaceuticals and as an intermediate in organic synthesis. It is also used in food science as a stabilizer and in research for its unique chemical properties.

Is Calcium bis(2-oxo-3-phenylpropanoate) (CAS: 51828-93-4) safe?

Calcium bis(2-oxo-3-phenylpropanoate) (CAS: 51828-93-4) is generally considered safe for its intended uses. However, it should be handled with care to avoid inhalation and contact with skin or eyes. Protective measures include the use of gloves and goggles. Ensure proper ventilation during use.

How should Calcium bis(2-oxo-3-phenylpropanoate) (CAS: 51828-93-4) be stored?

Calcium bis(2-oxo-3-phenylpropanoate) (CAS: 51828-93-4) 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. Avoid storing it in temperatures above 30°C (86°F) to maintain its stability.