Cedryl acetate

Basic Information

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CAS Number

77-54-3

Molecular Formula

C17H28O2

Molecular Weight

264.41 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

44-46 °C

Boiling Point

>200 °C

Density

0.999 g/mL at 25 °C

Flash Point

200 °F

Refractive Index

n20/D 1.499(lit.)

SMILES

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CC(O[C@@]1(CC[C@]2(C(C)([C@@H]3C[C@]12CC[C@H]3C)C)[H])C)=O

InChI

InChI=1S/C17H28O2/c1-11-6-9-17-10-13(11)15(3,4)14(17)7-8-16(17,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13-,14+,16-,17+/m1/s1

InChIKey

OETMLOBORLMQPE-YIUHCBHRSA-N

LogP

4.180600000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

414

Safety Information

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GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Synonyms & References

English

(+)-cedryl acetate
Cedryl Acetate Crystal
Cedryl Acetate Liquid
Cedryl acetate
cedran-8-yl acetate
CEDARWOOD ACETATE
Cedranyl acetate
CEDRYL ACETATE P50
Cedrylacetat
cedrylactate
Credrol acetate
(3R,3aS,6R,7R,8aS)-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol-6-acetate
Cedran-8-yl acetate

MDL Number

MFCD00077764

Customs Code

2915390090

FAQ

What are the physical and chemical properties of Cedryl acetate (CAS: 77-54-3)?

Cedryl acetate (CAS: 77-54-3) is a colorless oily liquid with a strong fragrance. It has a molecular weight of approximately 158.22 g/mol. This compound is soluble in ethanol and ether but insoluble in water. Chemically, it is relatively stable but can react with strong acids and bases. It has a pKa of around 17.5.

How is Cedryl acetate (CAS: 77-54-3) typically synthesized?

Cedryl acetate is typically synthesized by the esterification of cedrol with acetic acid using a strong acid catalyst such as sulfuric acid. The reaction is usually carried out at elevated temperatures and pressures. The yield is generally around 85-90%, with good selectivity for the desired product.

What industries use Cedryl acetate (CAS: 77-54-3)?

Cedryl acetate (CAS: 77-54-3) is widely used in the fragrance and flavor industry due to its pleasant aroma. It is also utilized in the polymers industry for its stabilizing and anti-oxidizing properties. Additionally, it is applied in the food industry for flavoring and in the cosmetic industry for fragrances.

What precautions should be taken when handling Cedryl acetate (CAS: 77-54-3)?

When handling Cedryl acetate (CAS: 77-54-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from strong acids and bases. If a spill occurs, it should be cleaned up using absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.