Basic information
- CAS
40942-73-2- Standard SMILES
CCCCCC1C(=O)CCC1CC(C)=O- InChIKey
PMVDYAQAPLAXSY-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Names & identifiers
- Preferred name
- Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-
- IUPAC
- 3-(2-oxopropyl)-2-pentylcyclopentan-1-one
- English name
- 3-(2-Oxopropyl)-2-pentylcyclopentanone
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31
Names & synonyms
3-(2-Oxopropyl)-2-pentylcyclopentanone40942-73-2Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-3-(2-Oxopropyl)-2-pentylcyclopentan-1-onePentylcyclopentanonepropanone2-Pentyl-3-(2-propanone)-1-cyclopentanoneEINECS 255-149-6BRN 2102970DTXSID00866027RefChem:581053DTXCID20814368255-149-6
Show more names
MAGNOLIONE (L.R.T.14), RBDamyl cyclopentanone propanon3-(2-oxopropyl)-2-pentyl-cyclopentanon2-Pentyl-3-(2-oxopropyl)cyclopentanone3-(2-Oxopropyl)-2-pentylcyclopentan-1-on
Magnolione3-Acetonyl-2-pentylcyclopentanoneSCHEMBL3504666AMYL CYCLOPENTANONE PROPANONE2-N-Amyl-3-acetonyl-1-cyclopentanoneNS000119672-n-pentyl-3-(2-oxopropyl)-1-cyclopentanone
Database identifiers
- CAS
40942-73-2- PubChem CID
- 162030
- DTXSID
DTXSID00866027- EC Number
- 255-149-6
- Nikkaji
- J72.738E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 309.85 °C · 309.85°C (rough estimate)
- Density
- 0.976 · 0.9760 (rough estimate)
- refractive index
- 1.456 · 1.4560 (estimate)
- Odor
- 100 % · at 100.00 %. floral magnolia jasmin
- Odor Type
- floral
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.407 · 2.407 (est)
- EPA Substance Registry System
- 3 · Cyclopentanone, 3-(2-oxopropyl)-2-pentyl- (40942-73-2)
- TSCA
- TSCA listed
- Toxicity
- 50 orl-rat: · LD50 orl-rat: >5 g/kg FCTOD7 20,795,82
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 100% (1521 of 1521) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 1521 of 1521 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 1521 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1521 of 1521 reports by companies.；There are 0 notifications provided by 0 of 1521 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-
Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Regulatory information
Regulatory Information
Chemical: Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-
Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: >5 g/kg FCTOD7 20,795,82
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclopentanone, 3-(2-oxopropyl)-2-pentyl-: ACTIVE
Suppliers3 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
5 records
Compound notes
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