3-Cyclohexene-1-carboxylic acid

Basic Information

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CAS Number

4771-80-6

Molecular Formula

C7H10O2

Molecular Weight

126.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

17 °C

Boiling Point

238°C

Solubility

V sol

Refractive Index

n20/D 1.48(lit.)

SMILES

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C1CC(CC=C1)C(=O)O

InChI

InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)

InChIKey

VUSWCWPCANWBFG-UHFFFAOYSA-N

LogP

1.4273

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

138

Safety Information

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GHS Hazard Pictograms

H312

H314

Hazard Statement

H312 Harmful in contact with skin
Acute toxicity, dermal

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

Hazard Class

Class 8 Class 8

Stability

Stable. Combustible. Incompatible with bases, strong oxidizing agents.

Synonyms & References

English

.DELTA.3-Cyclohexenecarboxylic acid
NSC 44883
4-cyclohexene carboxylic acid
delta3-Cyclohexenylcarboxylic acid
cyclohex-3-enecarboxylic acid
PB18863
MFCD08275445
Kyselina 1,2,5,6-tetrahydrobenzoova
4771-80-6
C0652
SCHEMBL91180
NS00047160
AMY3991
W-106065
FT-0615562
1-Cyclohexene-4-carboxylic acid
(S)-(?)-1,2,3,6-Tetrahydrobenzoic acid
SY098140
BB 0237473
3-cyclohexene carboxylic acid
1338-24-5
EINECS 225-314-7
AKOS000121458
PB29511
3-Cyclohexene-1-carboxylic acid, 97%
(S)-(?)-3-Cyclohexene-1-carboxylic acid
F2191-0063
Cyclohex-3-ene-1-carboxylic acid
MFCD00013781
FT-0686460
3-CYCLOHEXENECARBOXYLIC ACID

MDL Number

MFCD00013781

Customs Code

2916209090

FAQ

What are the physical and chemical properties of 3-Cyclohexene-1-carboxylic acid (CAS: 4771-80-6)?

3-Cyclohexene-1-carboxylic acid is a colorless liquid with a pungent odor. Its molecular weight is approximately 126.20 g/mol. It is slightly soluble in water but miscible with ethanol and other organic solvents. Chemically, it is reactive towards nucleophiles and can participate in esterification and condensation reactions.

How is 3-Cyclohexene-1-carboxylic acid (CAS: 4771-80-6) typically synthesized?

3-Cyclohexene-1-carboxylic acid is typically synthesized via the oxidation of 3-cyclohexenol, often using potassium permanganate or other strong oxidizing agents. The reaction is selective and gives high yield if properly controlled under mild conditions.

What industries use 3-Cyclohexene-1-carboxylic acid (CAS: 4771-80-6)?

3-Cyclohexene-1-carboxylic acid finds applications in the pharmaceutical industry for the synthesis of drugs, in the polymer industry for the production of certain types of plastics, and in the chemical industry for the manufacture of various organic intermediates and additives.

What precautions should be taken when handling 3-Cyclohexene-1-carboxylic acid (CAS: 4771-80-6)?

When handling 3-Cyclohexene-1-carboxylic acid, proper personal protective equipment (PPE) should be worn, including gloves and safety goggles. It should be stored in a well-ventilated area and away from heat sources. In case of spill, it should be cleaned up using appropriate absorbents, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.