Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-

Basic Information

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CAS Number

76-49-3

Molecular Formula

C12H20O2

Molecular Weight

196.29 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

29°C

Boiling Point

228-231 ºC

Density

0.985

Flash Point

192 ºF

Solubility

In water 9.721 mg/L at 25 °C (est)

Refractive Index

1.4635

Vapor Pressure

0.23 mmHg

Odor

Pine needles

Specific Rotation

-41 º (neat)

SMILES

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CC(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C

InChI

1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3

InChIKey

KGEKLUUHTZCSIP-HOSYDEDBSA-N

LogP

2.7643000000000013

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

270

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Bornyl acetate
FEMA 2159
1,7,7-trimethyl-,acetate,endo-bicyclo[2.2.1]heptan-2-o
1,7,7-trimethyl-,acetate,endo-Bicyclo[2.2.1]heptan-2-ol
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate
2-Camphanol acetate
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-
Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-,acetate,(1R,2S,4R)-rel-
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate
BORNYL ACETATE REAG. PH EUR
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate
Borneol, acetate
borneyl acetate
bornyl aceate
Bornyl acetic ether
endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
endo-2-Camphanyl ethanoate
Acetic acid isobornyl ester
rel-(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate
acetate, endo-,Borneol, acetate,(±)-Bornyl acetate,Bornyl acetic ester,Bornyl ethanoate,dl-Bornyl ac...

MDL Number

MFCD00135944

FAQ

What are the physical and chemical properties of Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel- (CAS: 76-49-3)?

Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel- (CAS: 76-49-3) is a crystalline compound with a molecular weight of approximately 234.37 g/mol. It has a low solubility in water but is more soluble in organic solvents. The compound is moderately reactive and can undergo hydrolysis under acidic conditions. It is used as an intermediate in organic synthesis.

How is Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel- (CAS: 76-49-3) typically synthesized?

Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel- (CAS: 76-49-3) is typically synthesized via the acetylation of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol. The reaction is usually performed using acetic anhydride and a catalytic amount of a Lewis acid such as aluminum trichloride. The yield is around 70-80%, and the product is isolated by recrystallization from a suitable solvent.

What industries use Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel- (CAS: 76-49-3)?

Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel- (CAS: 76-49-3) is primarily used in the pharmaceutical and fine chemical industries as a precursor for the synthesis of various bioactive compounds. It may also find applications in the polymer industry for the production of functionalized polymers.

What precautions should be taken when handling Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel- (CAS: 76-49-3)?

When handling Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel- (CAS: 76-49-3), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be handled in a well-ventilated area or a fume hood. Spills should be handled carefully, and the area should be cleaned with appropriate solvents. Safety data sheets (SDS) should be consulted for detailed handling instructions.