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5413-60-5

Name TRICYCLODECENYL ACETATE
CAS 5413-60-5
EINECS(EC#) 226-501-6
Molecular Formula C12H16O2
MDL Number MFCD00135806
Molecular Weight 192.25
MOL File 5413-60-5.mol
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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 Data

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

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