2,2,5-Trimethyl-5-pentylcyclopentanone
Basic information
- CAS
65443-14-3- Standard SMILES
CCCCCC1(C)CCC(C)(C)C1=O- InChIKey
PUKWIVZFEZFVAT-UHFFFAOYSA-N- Molecular formula
- C13H24O
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.18271539
Overview
2,2,5-Trimethyl-5-pentylcyclopentanone has been reported in Pelargonium tomentosum with data available.
Names & identifiers
- Preferred name
- 2,2,5-Trimethyl-5-pentylcyclopentanone
- IUPAC
- 2,2,5-trimethyl-5-pentylcyclopentan-1-one
- English name
- 2,2,5-TRIMETHYL-5-PENTYLCYCLOPENTANONE
- Molecular formula
- C13H24O
- Molecular weight
- 196.33
Names & synonyms
2,2,5-Trimethyl-5-pentylcyclopentanone65443-14-32,2,5-Trimethyl-5-pentylcyclopentan-1-oneBN3YZU63MNCyclopentanone, 2,2,5-trimethyl-5-pentyl-DTXSID90523412,2,5-trimethyl-5-pentyl-cyclopentanoneRefChem:440753DTXCID9030913265-779-3Veloutone2-Pentyl-2,5,5-trimethylcyclopentanone
Show more names
VELOUTONE, FIRMENICH2,5,5-Trimethyl-2-pentylcyclopentanone2,2,5-trimethyl-5-pentyl-cyclopentanon2,2,5-Trimethyl-5-pentylcyclopentan-1-on
EINECS 265-779-3fruity cyclopentanoneUNII-BN3YZU63MNSCHEMBL115158AKOS006271663NS00013300
Database identifiers
- CAS
65443-14-3- PubChem CID
- 103402
- DTXSID
DTXSID9052341- UNII
- BN3YZU63MN
- EC Number
- 265-779-3
- Nikkaji
- J23.228I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2,2,5-Trimethyl-5-pentylcyclopentanone) -> IFRA transparency List
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 247.2 · 247.2±8.0 °C(Predicted)
- Density
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- vapor pressure
- 9.2 Pa · 9.2Pa at 25℃
- Flash point
- 90 ° · 90°
- Odor
- 100 % · at 100.00 %. fruity peach apricot jasmin lactonic herbal lavender
- Odor Type
- fruity
- Water Solubility
- 18.9 mg/L · 18.9mg/L at 20℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.7 at · 4.7 at 20℃
- FDA UNII
- 3 YZU63MN · BN3YZU63MN
- EPA Substance Registry System
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1698 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Cyclopentanone, 2,2,5-trimethyl-5-pentyl-
Cyclopentanone, 2,2,5-trimethyl-5-pentyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentanone, 2,2,5-trimethyl-5-pentyl- 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)
REACH registered substance: 2,2,5-trimethyl-5-pentylcyclopentan-1-one (EC: 265-779-3)
2,2,5-trimethyl-5-pentyl-cyclopentanone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN3082
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_class
- 9
- Hazard statements
- H411
Chemistry & industry
Uses & manufacturing
U.S. Production2020: 21 lb
Consumer UsesFragrance
Household ProductsInformation on 10 consumer products that contain Trimethyl-Pentylcyclopentanone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclopentanone, 2,2,5-trimethyl-5-pentyl-: ACTIVE
Suppliers
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Related reactions
0 records
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Compound notes
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