Cyclopentanthiol

FEMA 3262 · Cyclopentanthiol · cyclopentylthiol · CYCLOPENTANETHIOL · MERCAPTOCYCLOPENTANE · Cyclopentanethiol >Cyclopentanethiol 97% · CYCLOPENTYL MERCAPTAN · CYCLOPENTANETHIOL 97+%

https://huagongshe.com/de/chemical/15510

Identifikatoren & physikalische Daten

CAS No.	1679-07-8
Summenformel	C5H10S
Durchschnittliche Molmasse	102,2 g/mol
Monoisotopische Masse	102,05032149 g/mol
SMILES	SC1CCCC1
InChIKey	WVDYBOADDMMFIY-UHFFFAOYSA-N
PubChem CID	15510
ChEMBL	CHEMBL3186752
ChEBI	CHEBI:173317
EC No.	216-841-3
DTXSID	DTXSID1047108
Lokaler Name	Cyclopentanthiol

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	6
Formalladung	0
Komplexität	37
Dichte	0.920-0.9250.955 g/mL at 25 °C (lit.)
Löslichkeit	758 mg/L @ 25 °C (calc.)slightly soluble in watersoluble in alcohol and oils(in ethanol)soluble in alcohol and oils.
Siedepunkt	41.00 to 42.00 °C. @ 16.00 mm Hg131 °C129-131 °C/745 mmHg (lit.)
Brechungsindex	1.488n20/D 1.4902(lit.)
Physical Description	colourless liquid
Kovats Retention Index	8291107111111331139.1
Schmelzpunkt	-117.76°C
Dampfdichte	0.96 (vs air)
Dampfdruck	1 mm Hg ( 20 °C)
FEMA	3262 \| CYCLOPENTANETHIOL
Flammpunkt	77 °F
Lagerbedingungen	2-8°C, stored under nitrogen
pKa (Säurekonstante)	10.87±0.20(Predicted)
Aggregatzustand	Liquid
Farbe	Clear colorless to pale yellow
Geruch	at 0.01 % in propylene glycol. alliaceous onion garlic horseradish vegetable celery eggy
Geruchsart	alliaceous
Biologische Quelle	synthetic
Spezifische Wärmekapazität	Cp(liquid): 1.62 J/(g·K), at 25℃
JECFA Number	516
BRN	2343861
InChI	1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2
InChIKey	WVDYBOADDMMFIY-UHFFFAOYSA-N
SMILES	SC1CCCC1
LogP (Verteilungskoeffizient)	2.21
CAS Datenbank	1679-07-8(CAS DataBase Reference)
EPA chemische Informationen	Cyclopentanethiol (1679-07-8)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Chemical: CyclopentanethiolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Cyclopentanethiol: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories	Flam. Liq. 3 (100%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 3336 3/PG 3
Zollcode	29309090
RTECS-Nr.	GY4701000
R-Sätze (R)	10
Sicherheitshinweise (S)	16-23-24/25
Gefahrenklasse	3Flam. Liq. 3
Verpackungsgruppe	III
Lagerklasse	3 - Flammable liquids

Anwendungen & Verwendung

Beschreibung

Cyclopentanethiol belongs to the class of organic compounds known as alkylthiols. These organic compounds contain the thiol functional group linked to an alkyl chain. Cyclopentanethiol is an alliaceous, celery, and citrus-tasting compound.

Verwenden

Cyclopentanethiol has used as a food spice. It is a pharmaceutical intermediate.

Herstellung & Synthese

synthetische

From cyclopentyl bromide and potassium hydrosulfide; by treating cycloalkanone dimethyl dithioacetals with four equivalents of an alkaline metal; from cyclopentyl naphthyl sulfide and an aluminosilicate catalyst.