Verdyl acetate
Basic information
- CAS
5413-60-5- Standard SMILES
CC(=O)OC1CC2CC1C1CC=CC21- InChIKey
RGVQNSFGUOIKFF-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Verdyl acetate
- IUPAC
- 8-tricyclo[5.2.1.02,6]dec-3-enyl acetate
- English name
- TRICYCLODECENYL ACETATE
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
5413-60-5Verdyl acetateJasmacyclen3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetateGreenyl acetateTricyclodecen-4-yl 8-acetateHerbaflorat4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetateDihydro-nordicyclopentadienyl acetate3a,4,5,6,7,7a-Hexahydro-4,7-methanoinden-6-yl acetateJASMACYCLENE5232EN3X2F
Show more names
CYCLACETGreenylacetatTricyclodecylene4,7-Methano-1H-inden-6-ol,3a,4,5,6,7,7a-hexahydro-,acetateNsc6598NS 6598Jasmylene
NSC 6598NSC-6598EINECS 226-501-6BRN 1949487AI3-20146J217.985GDTXSID40292704,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
Database identifiers
- CAS
5413-60-5- PubChem CID
- 110655
- DTXSID
DTXSID4029270- UNII
- 5232EN3X2F
- EC Number
- 226-501-6
- Nikkaji
- J217.985G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Tricyclodecenyl acetate) -> IFRA transparency List
Physical DescriptionLiquid; Dry Powder; Liquid; CBI
Physicochemical properties
- Boiling point
- 288.25 °C · 288.25°C (rough estimate)
- Density
- 1.024 · 1.0240 (rough estimate)
- vapor pressure
- 2.84 Pa · 2.84Pa at 25℃
- refractive index
- 1.51 · 1.5100 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 571.429 g/L · 571.429g/L in organic solvents at 20 ℃
- pka
- 0 · 0[at 20 ℃]
- color
- A colourless viscous liquid.
- Odor
- 100 % · at 100.00 %. floral green soapy cedar pine woody
- Odor Type
- floral
- Viscosity
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 52.3% (944 of 1806) of all reports.
Warning
H226 (24.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1806 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 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-, 6-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (24.5%)
Safety data
- 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).
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H225-H412
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesOther
Industry UsesOther
Household ProductsInformation on 245 consumer products that contain 3a,4,5,6,7,7a-Hexahydro-4,7-methanoinden-6-yl acetate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate: ACTIVE
Applications
OccurrenceHas apparently not been reported to occur in nature.
UsesTricyclodecenyl acetate-13C2 is 13C labeled 2-Acetylthiazole.
Preparation methods
PreparationBy hydration and acetylization of dicyclopentadiene.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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