Basic information
- CAS
25564-22-1- Standard SMILES
CCCCCC1=CCCC1=O- InChIKey
ILHZVKAXFCDFMT-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 2-pentyl-
- IUPAC
- 2-pentylcyclopent-2-en-1-one
- English name
- 2-PENTYL-2-CYCLOPENTEN-1-ONE
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
2-Pentyl-2-cyclopenten-1-one25564-22-12-Pentylcyclopent-2-en-1-one2-Cyclopenten-1-one, 2-pentyl-Amyl cyclopentenoneDTXSID6029331BRN 1857975EINECS 247-104-41UOK9N9N72DTXCID809331EC 247-104-44-07-00-00195 (Beilstein Handbook Reference)
Show more names
Amylcyclopentenon2-Amyl 2-cyclopenten-1-one2-PENTYL-CYCLOPENT-2-ENONE2-amylcyclopent-2-en-1-one2-PENTYL-2-CYCLOPENEN-1-ONE2-pentyl-2-cyclopenten-1-on2-Pentylcyclopent-2-en-1-on
2Pentylcyclopent2en1oneRefChem:4709702Cyclopenten1one, 2pentyl247-104-42-Pentyl-2-Cyclopentene-1-One2-pentyl-2-cyclopentenone2-pentylcyclopent-2-enoneMFCD00036631
Database identifiers
- CAS
25564-22-1- PubChem CID
- 117549
- DTXSID
DTXSID6029331- ChEMBL
CHEMBL3183509- UNII
- 1UOK9N9N72
- EC Number
- 247-104-4
- Nikkaji
- J22.872I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesChemical shift
FragrancesFragrance substance (Amylcyclopentenone) -> IFRA amendment 43
Physicochemical properties
- Boiling point
- 114 · 114-116 °C15 mm Hg(lit.)
- Density
- 0.921 g/mL · 0.921 g/mL at 25 °C(lit.)
- vapor pressure
- 3.6 Pa · 3.6Pa at 20℃
- refractive index
- 20 · n20/D 1.473(lit.)
- Flash point
- 205 °F · 205 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Odor
- 100 % · at 100.00 %. woody isojasmone jasmin tuberose
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
H317 (99.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 117 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Cyclopenten-1-one, 2-pentyl-
Status: Active Update: 07-03-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16501
2-Cyclopenten-1-one, 2-pentyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Cyclopentanone.
Hazard Classes and CategoriesSkin Sens. 1 (99.1%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GY7310000
- hs_code
- 2914290090
- Toxicity
- LD50 orl-rat: 2200 mg/kg FCTOD7 30,7S,92
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303
- REACH Registrations
- Active
- Precautionary statements
- P312
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
Amylcyclopentenone
2-Cyclopenten-1-one, 2-pentyl-; 2-Pentyl-2-cyclopentenone; 2-Pentylcyclopent-2-en-1-one
IFRA_STD_108.pdf
43
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient
General Manufacturing Information2-Cyclopenten-1-one, 2-pentyl-: ACTIVE
Applications
UsesAmyl cyclopentenone is suggested for use in perfume compositions, primarily in the creation of artificial Jasmin, Jasmin bases, specialties, etc. It can also be used as a floralizer for fragrances other than those of the Jasmin type, mainly in the milder florals, and in a few sharper ones, such as Hyacinth.
Preparation methods
PreparationAmyl cyclopentenone is prepared from Decenoic acid by treatment with Phosphoric acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
25 records
Compound notes
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