3-Cyclopentylpropionsure

Cyclopentanepropanoic acid

HCID 8818CAS 140-77-2

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Grundinformationen

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
UNII: 931H8F0JEE
EC Number: 205-433-0
Nikkaji: J79.460K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 37,3 Å²
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)
NIST chemische Informationen: Cyclopentanepropanoic acid(140-77-2)
EPA chemische Informationen: Cyclopentanepropanoic acid (140-77-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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).