4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid

Basic Information

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CAS Number

828-52-4

Molecular Formula

C10H16O3

Molecular Weight

184.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

332.7°C at 760 mmHg

SMILES

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OCC1(CCC2(CC1)C(=O)O)CC2

InChI

InChI=1S/C10H16O3/c11-7-9-1-4-10(5-2-9,6-3-9)8(12)13/h11H,1-7H2,(H,12,13)

InChIKey

CPVMAYNPSFMOGK-UHFFFAOYSA-N

LogP

1.4039

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

210

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

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

Synonyms & References

English

4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid
1-(hydroxymethyl)bicyclo[2.2.2]octane-4-carboxylic acid
Bicyclo[2.2.2]octane-1-carboxylicacid, 4-(hydroxymethyl)-
4-HYDROXYMETHYL-BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID
AK102744
NSC177415
CPVMAYNPSFMOGK-UHFFFAOYSA-N
2806AC
ZB1475
FCH1219857
OR312494
AX8234283
ST24043097
4-Hydroxymethylbicyclo[2.2.2]octane-1-carboxylic acid

MDL Number

MFCD20640208

FAQ

What is 4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid (CAS: 828-52-4)?

4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid (CAS: 828-52-4) is a cyclic carboxylic acid with the molecular formula C8H14O3. It is characterized by its chiral center and is used primarily in pharmaceutical and chemical synthesis applications due to its unique structural properties.

What are the main uses of 4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid (CAS: 828-52-4)?

4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid (CAS: 828-52-4) is mainly used in the pharmaceutical industry as an intermediate in the synthesis of drugs, and in chemical research for its structural uniqueness and reactivity in organic reactions.

Is 4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid (CAS: 828-52-4) safe?

4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid (CAS: 828-52-4) is generally considered safe for its intended use in pharmaceutical and chemical synthesis, but precautions should be taken. It is important to follow safety guidelines, including proper handling, storage, and disposal to avoid potential hazards.

How should 4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid (CAS: 828-52-4) be stored?

4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid (CAS: 828-52-4) should be stored in a dry, cool, and shaded environment to minimize degradation. It should be kept in a tightly sealed container, away from direct sunlight and sources of heat. Avoid contact with incompatible substances and store in a well-ventilated area for safety.