1-Cyclopropyl-1,3-butanedione

Basic Information

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CAS Number

21573-10-4

Molecular Formula

C7H10O2

Molecular Weight

126.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Boiling Point

198.5°C at 760 mmHg

SMILES

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CC(=O)CC(=O)C1CC1

InChI

InChI=1S/C7H10O2/c1-5(8)4-7(9)6-2-3-6/h6H,2-4H2,1H3

InChIKey

KLCGMDWRXACELA-UHFFFAOYSA-N

LogP

0.9446

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

145

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Q-103240
21573-10-4
4-cyclopropyl-2,4-butanedione
BCP23092
BB 0262839
1-Cyclopropylbutane-1 pound not3-dione
1-Cyclopropyl-1,3-butanedione, AldrichCPR
A815490
1-Cyclopropyl-1,3-butanedione
1-cyclopropyl-butane-1,3-dione
1-Cyclopropyl-1,3-Butandione
FT-0659532
1-cyclopropylbutan-1,3-dione
CS-W006361
AKOS009265119
1-cyclopropylbutane-1,3-dione
4-cyclopropylbutan-2,4-dione
DTXSID40452004
AM20090193
EN300-70179
SCHEMBL221424
O10401
MFCD00511094
1,3-Butanedione, 1-cyclopropyl-
KLCGMDWRXACELA-UHFFFAOYSA-N
AS-11349
SY033750
1-Cyclopropylbutane-1,3-dione
ACETOACETYL CYCLOPROPANE
1-CYCLOPROPYL-1,3-BUTANEDIONE
1-cyclopropyl-1,3-butanedione(SALTDATA: FREE)

MDL Number

MFCD00511094

Customs Code

2914299000

FAQ

What are the physical and chemical properties of 1-Cyclopropyl-1,3-butanedione (CAS: 21573-10-4)?

1-Cyclopropyl-1,3-butanedione is a colorless or slightly yellow liquid with a molecular weight of 120.17 g/mol. It is soluble in ethanol and acetone but less soluble in water. It is reactive and undergoes easy dehydration and decarboxylation reactions.

How is 1-Cyclopropyl-1,3-butanedione (CAS: 21573-10-4) typically synthesized?

1-Cyclopropyl-1,3-butanedione is typically synthesized through the condensation of cyclopropylmethyl acetate with formaldehyde using an acid catalyst. The reaction is highly selective and yields up to 90% of the desired product.

What industries use 1-Cyclopropyl-1,3-butanedione (CAS: 21573-10-4)?

1-Cyclopropyl-1,3-butanedione is used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It also finds applications in the polymer industry for the development of specific polymers and in the chemical sensing industry as a sensing material.

What precautions should be taken when handling 1-Cyclopropyl-1,3-butanedione (CAS: 21573-10-4)?

When handling 1-Cyclopropyl-1,3-butanedione, protective gloves and safety goggles should be worn. It should be handled in a well-ventilated area or fume hood. Spills should be cleaned up with care, and appropriate personal protective equipment (PPE) should be used. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.