ChemicalBook--->CAS DataBase List--->5413-60-5

5413-60-5

5413-60-5 Structure

5413-60-5 Structure
IdentificationBack Directory
[Name]

TRICYCLODECENYL ACETATE
[CAS]

5413-60-5
[Synonyms]

Nsc6598
CYCLACET
JASMACYCLENE
Greenylacetat
VERDYL ACETATE
Tricyclodecylene
TRICYCLODECENYL ACETATE
tricyclodecyleneacetate
4,7-Methano-1H-inden-6-
tricyclodecen-4-yl8-acetate
Tricyclodecen-4-yl 8-acetate
TRICYCLODECENYL ACETATE USP/EP/BP
Tricyclodecenylester ofacetic acid
dihydro-nordicyclopentadienylacetate
7-methanoinden-6-ol,3a,4,5,6,7,7a-hexahydro-acetate
3a,4,5,6,7,7a-Hexahydro-4,7-methanoinden-6-ylacetat
3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-ylacetate
Acetic acid tricyclo[5.2.1.02,6]deca-3-ene-8-yl ester
7-methano-1h-inden-6-ol,3a,4,5,6,7,7a-hexahydro-acetate
3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetate
4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
1,3a,5,6,7,7a-Hexahydro-4,7-methano-4H-inden-6-ol acetate
4,7-Methano-1H-inden-6-ol,3a,4,5,6,7,7a-hexahydro-,acetate
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1(3)H-INDEN-6-YL ACETATE
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate
[EINECS(EC#)]

226-501-6
[Molecular Formula]

C12H16O2
[MDL Number]

MFCD00135806
[MOL File]

5413-60-5.mol
[Molecular Weight]

192.25
Chemical PropertiesBack Directory
[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℃
[Cosmetics Ingredients Functions]

PERFUMING
[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 DataBack Directory
[TSCA ]

TSCA listed
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1974).
Hazard InformationBack Directory
[Chemical Properties]

A colorless or nearly colorless thick liquid with a relative density of 1.0736-1.077, a refractive index of 1.4940-1.4980, and a flash point above 93°C. It is soluble in 4% by volume 70% ethanol and oils. Its acid value is <1.0, and its ester value is 270-295. It has a strong herbal-green aroma and a fresh woody fragrance. Depending on the position of the acetoxy group, the top note may be woody or slightly aniseed. It has a strong diffusivity and is long-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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