8-Methoxy-8-oxooctanoic acid

Basic Information

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CAS Number

3946-32-5

Molecular Formula

C9H16O4

Molecular Weight

188.22 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

Basic Physical Properties

Melting Point

17-19 °C

Boiling Point

185-186 °C/18 mmHg

Refractive Index

n20/D 1.444(lit.)

SMILES

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COC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C9H16O4/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-7H2,1H3,(H,10,11)

InChIKey

KOVPXZDUVJGGFU-UHFFFAOYSA-N

LogP

1.5846

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

165

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

8-Methoxy-8-oxooctanoic acid
METHYL HYDROGEN SUBERATE
METHYL HYDROGEN OCTANE-1,8-DIOATE
SUBERIC ACID MONOMETHYL ESTER
OCTANEDIOIC ACID MONOMETHYL ESTER
MONOMETHYL OCTANE-1,8-DIOATE
MONOMETHYL SUBERATE
SUBERIC ACID METHYL ESTER
Monomethyl octanedioate
mono-Methyl suberate
Suberic acid monomethy ester
Subericacidmonomethylester
KOVPXZDUVJGGFU-UHFFFAOYSA-N
AK113993
KSC492M6F
7-methoxycarbonylheptanoic acid
Octanedioic acid 1-methyl ester
8-Methoxy-8-oxooctanoic acid #
Suberic acid monomethyl ester, 97%
CS0040
TRA0
TRA0027445
A
Methyl Hydrogen Suberate
Octanedioic Acid Monomethyl Ester
Suberic Acid Monomethyl Ester

MDL Number

MFCD00004427

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 8-Methoxy-8-oxooctanoic acid (CAS: 3946-32-5)?

8-Methoxy-8-oxooctanoic acid (CAS: 3946-32-5) is a white crystalline solid with a molecular weight of approximately 214.23 g/mol. It has a pKa of about 4.9. This compound is soluble in water and organic solvents like ethanol and acetone. It is not highly reactive under normal conditions but may undergo hydrolysis under acidic or basic conditions. It has a melting point of around 153-155°C and a boiling point of approximately 290°C at 1 mmHg.

How is 8-Methoxy-8-oxooctanoic acid (CAS: 3946-32-5) typically synthesized?

8-Methoxy-8-oxooctanoic acid (CAS: 3946-32-5) can be synthesized via the methylation of 8-oxooctanoic acid followed by the esterification of the resulting methyl ester with methanol in the presence of a strong acid catalyst like sulfuric acid. The yield is typically around 80-85%, and the selectivity towards the desired product is high.

What industries use 8-Methoxy-8-oxooctanoic acid (CAS: 3946-32-5)?

8-Methoxy-8-oxooctanoic acid (CAS: 3946-32-5) finds applications in the pharmaceutical industry for its potential use as a precursor in the synthesis of certain drugs. It is also used in the polymer industry for the modification of polymer properties. Additionally, it can be employed in the development of sensors and as a reagent in analytical chemistry.

What precautions should be taken when handling 8-Methoxy-8-oxooctanoic acid (CAS: 3946-32-5)?

When handling 8-Methoxy-8-oxooctanoic acid (CAS: 3946-32-5), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, ensure proper containment and cleaning using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed safety guidelines.