Basic information
- CAS
137-03-1- Standard SMILES
CCCCCCCC1CCCC1=O- InChIKey
PJXHBTZLHITWFX-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Heptylcyclopentanone
- IUPAC
- 2-heptylcyclopentan-1-one
- English name
- 2-n-Heptylcyclopentanone
- Molecular formula
- C12H22O
- Molecular weight
- 182.3
Names & synonyms
2-HEPTYLCYCLOPENTANONE137-03-12-Heptylcyclopentan-1-oneCyclopentanone, 2-heptyl-AlismoneDTXSID8044547FLEURAMONEFRUTALONE4984B2X8AHNSC-78468DTXCID6024547RefChem:472841
Show more names
HEPTONENSC 78468CYCLOAMYLONfleuramone (IFF)2-heptyl-cyclopentanonN-HEPTYL CYCLOPENTANONE
205-273-12-n-HeptylcyclopentanoneCyclopentanone, 2-n-heptyl-MFCD0001931571607-27-72-(n-Heptyl)cyclopentanonealpha-Heptyl cyclopentanonealpha-Heptylcyclopentanone
Database identifiers
- CAS
137-03-1、71607-27-7- PubChem CID
- 8710
- DTXSID
DTXSID8044547- ChEMBL
CHEMBL3185887- UNII
- 4984B2X8AH
- EC Number
- 205-273-1、275-671-8
- Nikkaji
- J72.736I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
CosmeticsSolvent
FragrancesFragrance Ingredient (2-Heptylcyclopentanone) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid; CBI
Physicochemical properties
- Boiling point
- 264 °C · 264 °C
- Density
- 0.89 · 0.89
- vapor pressure
- 2.4 Pa · 2.4Pa at 24℃
- refractive index
- 1.4526 · 1.4526 (589.3 nm 20℃)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Practically insoluble in water, soluble in alcohol and oils.
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
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
Warning
H315 (84.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1693 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Cyclopentanone, 2-heptyl-
Cyclopentanone, 2-heptyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentanone, 2-heptyl- 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-heptylcyclopentanone (EC: 205-273-1)
2-heptylcyclopentanone: 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 CategoriesSkin Irrit. 2 (84.3%)
Safety data
- tsca
- TSCA listed
- rtecs
- GY4950000
- hs_code
- 2914.29.5000
- Toxicity
- The acute oral LD50 value in rats was reported as > 5 g/kg (Shelanski, 1973). The acute dermal LD50 value in rabbits was reported as 5 g/kg (Shelanski, 1973).
- risk_code
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <75,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 5 consumer products that contain 2-Heptylcyclopentanone in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Solvent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Cyclopentanone, 2-heptyl-: ACTIVE
Applications
OccurrenceHas apparently not been reported to occur in nature.
Uses2-Heptylcyclopentanone is used in perfume compositions for Jasmin, Honeysuckle, Reseda, Chypre, and many other fruity floral types. It blends exceptionally well with macrocyclic musks and Undecanolide and related materials. It also lends freshness and power to Lavender and other non-floral fragrance types.
Preparation methods
PreparationBy catalytic reduction of heptylidene cyclopentanone (Arctander, 1969).
Related reactions
3 records
Compound notes
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