3-Cyclopentylpropionsure
Cyclopentanepropanoic acid
Grundinformationen
- CAS
140-77-2- Standard-SMILES
O=C(O)CCC1CCCC1- InChIKey
ZRPLANDPDWYOMZ-UHFFFAOYSA-N- Summenformel
- C8H14O2
- Durchschnittliche Molmasse
- 142,2 g/mol
- Monoisotopische Masse
- 142,09937969
Überblick
3-cyclopentylpropionic acid is a monocarboxylic acid that is propionic acid in which one of the methyl hydrogens is substituted by a cyclopentyl group.
Namen und Bezeichner
- Bevorzugter Name
- Cyclopentanepropanoic acid
- IUPAC
- 3-cyclopentylpropanoic acid
- Lokaler Name
- 3-Cyclopentylpropionsure
- Englischer Name
- 3-Cyclopentylpropionic acid
- Summenformel
- C8H14O2
- Molmasse
- 142.2
Namen und Synonyme
3-Cyclopentylpropionic acid140-77-23-Cyclopentylpropanoic acidCyclopentanepropanoic acidCyclopentanepropionic acidcypionic acidCyclopentylpropionic acidPropionic acid, 3-cyclopentyl-931H8F0JEENSC 8771NSC-8771EINECS 205-433-0
Weitere Namen anzeigen
AKOS BBS-000038023-Cyclopentylpropioncyclopentanepropanoicacid3-cyclopentylpropionicaci3-Cylcopentylpropanoic acid
3-Cyclopentyl-propionic acidAI3-14247DTXSID4059700CHEBI:50899CYCLOPENTYLPROPANOIC ACID [USP-RS]CYCLOPENTYLPROPANOIC ACID (USP-RS)RefChem:580998DTXCID2034546
Datenbank-Bezeichner
- CAS
140-77-2- PubChem CID
- 8818
- DTXSID
DTXSID4059700- ChEMBL
CHEMBL1230184- ChEBI
CHEBI:50899
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 114
Physikochemische Eigenschaften
- Schmelzpunkt
- -
- Siedepunkt
- 130 · 130-132 °C/12 mmHg (lit.)
- Dichte
- 0.996 g/mL · 0.996 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.457(lit.)
- Flammpunkt
- 116 °F · 116 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Liquid
- pka
- 4.81 · 4.81±0.10(Predicted)
- Farbe
- Clear colorless to yellow
- Wasserlöslichkeit
- insoluble
- InChI
- InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
- InChIKey
- ZRPLANDPDWYOMZ-UHFFFAOYSA-N
- SMILES
- C1(CCC(O)=O)CCCC1
- CAS Datenbank
- 140 · 140-77-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 16-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33677
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29162090
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 16-26-36-24/25
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationCyclopentanepropanoic acid: ACTIVE
Anwendungen
Verwenden3-Cyclopentylpropionic acid can be used as an organic building blocks in the synthesis of variety of pharmaceutical compound. It is used for the synthesis of Testosterone Cypionate (T155100).
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: A monocarboxylic acid that is propionic acid in which one of the methyl hydrogens is substituted by a cyclopentyl group.
Zugehörige Reaktionen
17
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