2-Pentylcyclopentan-1-on

2-Pentylcyclopentan-1-one

HCID 20959

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Grundinformationen

CAS: 4819-67-4
Standard-SMILES: CCCCCC1CCCC1=O
InChIKey: VNWOJVJCRAHBJJ-UHFFFAOYSA-N
Summenformel: C10H18O
Durchschnittliche Molmasse: 154,25 g/mol
Monoisotopische Masse: 154,1357652

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2-Pentylcyclopentan-1-one
IUPAC: 2-pentylcyclopentan-1-one
Lokaler Name: 2-Pentylcyclopentan-1-on
Englischer Name: 2-n-Pentylcyclopentanone
Summenformel: C10H18O
Molmasse: 154.25

Namen und Synonyme

2-Pentylcyclopentan-1-oneRefChem:5856702-PENTYLCYCLOPENTANONE4819-67-42-n-pentylcyclopentanoneDelfoneCyclopentanone, 2-pentyl-2-pentyl cyclopentanone2-pentyl-cyclopentanone2873H3P924DELPHONE2-pentyl-1-cyclopentanone

Weitere Namen anzeigen

QUINTONEDELPHONE, FIRMENICH2-AMYL CYCLOPENTANONE2-pentyl-cyclopentanon2-Pentylcyclopentan-1-on

delphonUNII-2873H3P924EINECS 225-392-22-pentylcyclopenten-1-one2-N-AMYLCYCLOPENTANONESCHEMBL113288SCHEMBL7516212DTXSID1044566

Datenbank-Bezeichner

CAS: 4819-67-4
PubChem CID: 20959
DTXSID: DTXSID1044566
UNII: 2873H3P924
EC Number: 225-392-2
Nikkaji: J22.899K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 129

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (2-Pentylcyclopentan-1-one) -> IFRA transparency List

Physical DescriptionCBI

Physikochemische Eigenschaften

Siedepunkt: 90 °C · 90 °C(Press: 10 Torr)
Dichte: 0.895 · 0.895±0.06 g/cm3(Predicted)
Dampfdruck: 15.4 Pa · 15.4Pa at 25℃
storage temp.: 2 · 2-8°C
Geruch (Odor): 1 % · at 1.00 % in dipropylene glycol. coconut jasmin oily rose fern green herbal
Geruchsart: floral
Wasserlöslichkeit: 278.8 mg/L · 278.8mg/L at 20℃
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
InChI: InChI=1S/C10H18O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2-8H2,1H3
InChIKey: VNWOJVJCRAHBJJ-UHFFFAOYSA-N
SMILES: C1(=O)CCCC1CCCCC
LogP: 3.3 at · 3.3 at 30℃
EPA chemische Informationen: 2 · Cyclopentanone, 2-pentyl- (4819-67-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 97.6% (1556 of 1595) of all reports.

Not Classified

Aggregated GHS information provided per 1595 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Cyclopentanone, 2-pentyl-

Cyclopentanone, 2-pentyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentanone, 2-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)

Status: Active Update: 14-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17753

Cyclopentanone, 2-pentyl-: 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 CategoriesNot Classified