6-Heptenoic acid

Basic Information

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CAS Number

1119-60-4

Molecular Formula

C7H12O2

Molecular Weight

128.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

−6.5 °C

Boiling Point

222-224 °C

Water Solubility

Miscible with water.

Refractive Index

n20/D 1.439(lit.)

SMILES

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C=CCCCCC(=O)O

InChI

InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)

InChIKey

RWNJOXUVHRXHSD-UHFFFAOYSA-N

LogP

1.8174000000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

97.1

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

6-Heptenoic acid, 99%
J-002674
NS00023595
CHEBI:38363
TZY1TN97UH
UNII-TZY1TN97UH
MFCD00014382
DTXSID80149769
CS-0097711
SY238390
Q27117573
FT-0621149
6-Heptenoic acid
LMFA01030016
AMY7501
SCHEMBL335817
1119-60-4
EN300-160225
Hept-6-enoic acid
AS-49569
EINECS 214-283-5
epsilon-heptenoic acid
AKOS006221238
I11996
A25939
C7:1n-1
6-heptenoic acid
hept-6-enoic acid

MDL Number

MFCD00014382

Customs Code

2916190090

FAQ

What is 6-Heptenoic acid (CAS: 1119-60-4)?

6-Heptenoic acid, also known as 6-heptenoate, is an organic compound with the chemical formula C7H12O2. It is a straight-chain monocarboxylic acid with a seven-carbon backbone and a carboxylic acid group (-COOH) at the end. This compound has a pungent odor and is used in various applications including pharmaceuticals, perfumery, and as a research reagent.

What are the main uses of 6-Heptenoic acid (CAS: 1119-60-4)?

6-Heptenoic acid is primarily used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It is also used in perfumery as a fragrance ingredient and as a research reagent in organic chemistry. Additionally, it has potential applications in flavor and fragrance industries due to its distinctive odor.

Is 6-Heptenoic acid (CAS: 1119-60-4) safe?

6-Heptenoic acid is generally considered safe for use in industrial and research applications, but it should be handled with care. It is important to follow safety guidelines, including wearing appropriate personal protective equipment, to avoid skin contact and inhalation. Proper ventilation is also crucial to minimize the risk of exposure.

How should 6-Heptenoic acid (CAS: 1119-60-4) be stored?

6-Heptenoic acid should be stored in a well-ventilated area away from heat and sources of ignition. It should be kept in a tightly closed container made of appropriate materials, such as glass or suitable plastic, to prevent contamination and loss of volatile components. The storage temperature should be maintained below 30°C, and the compound should be protected from direct sunlight and moisture to ensure its stability and safety.