3-Chloro-4-oxopentyl acetate

Basic Information

View in Editor

CAS Number

13051-49-5

Molecular Formula

C7H11ClO3

Molecular Weight

178.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

233 ºC

Flash Point

95 ºC

Refractive Index

1.438

SMILES

View in Editor

CC(=O)C(CCOC(=O)C)Cl

InChI

InChI=1S/C7H11ClO3/c1-5(9)7(8)3-4-11-6(2)10/h7H,3-4H2,1-2H3

InChIKey

LQKQGYIKTRJVJF-UHFFFAOYSA-N

LogP

1.136

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

156

Synonyms & References

English

2-pentanone, 5-(acetyloxy)-3-chloro-
BRN 0971207
J-005819
AS-17847
starbld0019562
MFCD00068821
?3-Chloro-5-hydroxy-2-pentanon acet
5-Acetoxy-3-chloropentan-2-one
SCHEMBL260591
EC 235-930-8
3-Chloro-5-hydroxy-2-pentanone acetate
FT-0659040
AKOS006271549
2-Chloro-3-oxopentyl acetate
3-chloro-4-oxopentyl acetate
CS-0324583
5-Acetoxy-3-chloro-2-pentanone
13051-49-5
AI3-34640
DTXSID10926767
3-Chloro-5-hydroxy-2-pentanon acetate
F9994-5260
5-(Acetyloxy)-3-chloro-2-pentanone
2-chloro-3-oxopentylacetate
SY019538
LQKQGYIKTRJVJF-UHFFFAOYSA-N
EINECS 235-930-8
NS00002347
F10298
2-Pentanone, 3-chloro-5-hydroxy-, acetate
(3-chloro-4-oxopentyl) acetate

MDL Number

MFCD00068821

Customs Code

2915390090

FAQ

What is 3-Chloro-4-oxopentyl acetate (CAS: 13051-49-5)?

3-Chloro-4-oxopentyl acetate (CAS: 13051-49-5) is an organic compound with the chemical formula C7H9ClO2. It has a pungent odor and is used in various industries including pharmaceuticals and perfumery.

What are the main uses of 3-Chloro-4-oxopentyl acetate (CAS: 13051-49-5)?

3-Chloro-4-oxopentyl acetate is primarily used as a fragrance ingredient in perfumery and cosmetics. It is also utilized in certain pharmaceutical formulations for its specific chemical properties.

Is 3-Chloro-4-oxopentyl acetate (CAS: 13051-49-5) safe?

3-Chloro-4-oxopentyl acetate is generally safe under normal use conditions. However, it is important to handle it with care, following all standard safety precautions and using appropriate personal protective equipment.

How should 3-Chloro-4-oxopentyl acetate (CAS: 13051-49-5) be stored?

3-Chloro-4-oxopentyl acetate 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 degradation and contamination.