2-Pentylcyclopent-2-en-1-on

2-Cyclopenten-1-one, 2-pentyl-

HCID 117549CAS 25564-22-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCCCCC1=CCCC1=O
InChIKey: ILHZVKAXFCDFMT-UHFFFAOYSA-N
Summenformel: C10H16O
Durchschnittliche Molmasse: 152,23 g/mol
Monoisotopische Masse: 152,12011513

Namen und Bezeichner

Bevorzugter Name: 2-Cyclopenten-1-one, 2-pentyl-
IUPAC: 2-pentylcyclopent-2-en-1-one
Lokaler Name: 2-Pentylcyclopent-2-en-1-on
Englischer Name: 2-PENTYL-2-CYCLOPENTEN-1-ONE
Summenformel: C10H16O
Molmasse: 152.23

Namen und Synonyme

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)

Weitere Namen anzeigen

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

Datenbank-Bezeichner

CAS: 25564-22-1
PubChem CID: 117549
DTXSID: DTXSID6029331
ChEMBL: CHEMBL3183509
UNII: 1UOK9N9N72
EC Number: 247-104-4
Nikkaji: J22.872I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 168

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aliphatic Ketones, Other

SpringerMaterials PropertiesChemical shift

FragrancesFragrance substance (Amylcyclopentenone) -> IFRA amendment 43

Physikochemische Eigenschaften

Siedepunkt: 114 · 114-116 °C15 mm Hg(lit.)
Dichte: 0.921 g/mL · 0.921 g/mL at 25 °C(lit.)
Dampfdruck: 3.6 Pa · 3.6Pa at 20℃
Brechungsindex: 20 · n20/D 1.473(lit.)
Flammpunkt: 205 °F · 205 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
Geruch (Odor): 100 % · at 100.00 %. woody isojasmone jasmin tuberose
Geruchsart: floral
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
LogP: 2.8 · 2.8
CAS Datenbank: 25564 · 25564-22-1(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Pentyl-2-cyclopenten-1-one (25564-22-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 2914290090
RTECS-Nr.: GY7310000
Toxizität: LD50 orl-rat: 2200 mg/kg FCTOD7 30,7S,92

Chemie und Industrie

Verwendung und Herstellung

IFRA Fragrance Standards · 6 Einträge

Amylcyclopentenone

2-Cyclopenten-1-one, 2-pentyl-; 2-Pentyl-2-cyclopentenone; 2-Pentylcyclopent-2-en-1-one

IFRA_STD_108.pdf

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

Anwendungen · 1 Eintrag

VerwendenAmyl 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.