TRICYCLODECENYL ACETATE Chemical Properties

Boiling point:

288.25°C (rough estimate)

Density 

1.0240 (rough estimate)

vapor pressure 

2.84Pa at 25℃

refractive index 

1.5100 (estimate)

storage temp. 

Sealed in dry,Room Temperature

solubility 

571.429g/L in organic solvents at 20 ℃

pka

0[at 20 ℃]

color 

A colourless viscous liquid.

Odor

at 100.00 %. floral green soapy cedar pine woody

Odor Type

floral

Water Solubility 

10μg/L at 30℃

InChI

InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3

InChIKey

RGVQNSFGUOIKFF-UHFFFAOYSA-N

SMILES

C1C2C(C3CC2C(OC(=O)C)C3)C=C1

LogP

0.924 at 35℃

CAS DataBase Reference

5413-60-5

EPA Substance Registry System

Tricyclodecen-4-yl 8-acetate (5413-60-5)

Safety Information

Toxicity

Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg (Moreno, 1974).

TRICYCLODECENYL ACETATE Usage And Synthesis

Chemical Properties

Colorless or almost colorless thick liquid. Relative density 1.0736-1.077, refractive index 1.4940-1.4980, flash point 93 ℃ or more, soluble in 4 volumes of 70% ethanol and oil. Acid value <1.0, ester value 270-295, has a strong herb-green gas and fresh wood flavor. Due to the different position of acetoxy, some of the product head fragrance is partial to wood, some slightly aniseed sweet, strong diffusion, lasting and stable.

Occurrence

Has apparently not been reported to occur in nature.

Uses

Tricyclodecenyl acetate-13C2 is 13C labeled 2-Acetylthiazole.

Preparation

By hydration and acetylization of dicyclopentadiene.

Flammability and Explosibility

Flammable

References

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. DOI:10.1177/1060028018797110

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