Basic information
- CAS
95962-14-4- Standard SMILES
CC1=CCC(C(C)CC2CCCC2=O)CC1- InChIKey
KNHGOYVXAHUDHP-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 2-(2-(4-Methylcyclohex-3-en-1-yl)propyl)cyclopentan-1-one
- IUPAC
- 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one
- English name
- NECTARYL
- Molecular formula
- C15H24O
- Molecular weight
- 220.35
Names & synonyms
NECTARYL95962-14-42-(2-(4-Methyl-3-cyclohexen-1-yl)propyl)cyclopentanone2-(2-(4-Methylcyclohex-3-en-1-yl)propyl)cyclopentan-1-one2-[2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one2-(p-Menthen-1-ene-9-yl)cyclopentan-1-oneP1K3Z8A8HJDTXSID3052646Cyclopentanone, 2-(2-(4-methyl-3-cyclohexen-1-yl)propyl)-Cyclopentanone, 2-[2-(4-methyl-3-cyclohexen-1-yl)propyl]-Cyclopentanone, 2-2-(4-methyl-3-cyclohexen-1-yl)propyl-RefChem:452973
Show more names
Nectaryl 74460032-[2-(4-methyl-3-cyclohexen-1-yl)propyl]-cyclopentanon2-[2-(4-METHYL-3-CYCLOHEXEN-1-YL)PROPYL]-CYCLOPENTANONE,97%, GLC
DTXCID0031219404-240-0619-182-3peach cyclopentanone2-(p-Menth-1-ene-10-yl)cyclopentanone2-[2-(4-METHYL-3-CYCLOHEXEN-1-YL)PROPYL]-CYCLOPENTANONEUNII-P1K3Z8A8HJSCHEMBL119790
Database identifiers
- CAS
95962-14-4
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-(p-Menth-1-ene-10-yl)cyclopentanone) -> IFRA transparency List
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 318.2 · 318.2±11.0 °C(Predicted)
- Density
- 0.953 · 0.953±0.06 g/cm3(Predicted)
- vapor pressure
- 0.01 · 0.01-2750Pa at 20-25℃
- Odor
- 100 % · at 100.00 %. fruity tropical lactonic peach apricot oily waxy custard coconut
- Odor Type
- fruity
- Viscosity
- 24.6 mm2/s · 24.6mm2/s
- Water Solubility
- 4.6 mg/L · 4.6mg/L at 20℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.8 at · 4.8 at 20℃
- FDA UNII
- 1 K3Z8A8HJ · P1K3Z8A8HJ
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 < 0.1% (1 of 1588) of reports.
Warning
H400 (97.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1588 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: Cyclopentanone, 2-[2-(4-methyl-3-cyclohexen-1-yl)propyl]-
Cyclopentanone, 2-[2-(4-methyl-3-cyclohexen-1-yl)propyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentanone, 2-[2-(4-methyl-3-cyclohexen-1-yl)propyl]- 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-(4-methyl-3-cyclohexen-1-yl)propyl)cyclopentanone (EC: 404-240-0)
Cyclopentanone, 2-2-(4-methyl-3-cyclohexen-1-yl)propyl-: 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 Categories
Aquatic Acute 1 (98.4%)
Aquatic Acute 1 (97.6%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 8,367,914 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 11 consumer products that contain Methylcyclohexenylpropyl-Cyclopentanone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Cyclopentanone, 2-[2-(4-methyl-3-cyclohexen-1-yl)propyl]-: ACTIVE
Suppliers25 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
江西林缘香料有限公司13879661494 13879661494 · [email protected]
吉良化学21-62165282 · [email protected]
广州济成进出口贸易有限公司13682223272 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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