Methyl 5-hexynoate

Methyl hex-5-ynoate · Methyl 5-hexynoate · Methyl 5-hexynote · TIMTEC-BB SBB009076 · Methyl 5-hexynoate,95% · Methyl 5-hexynoate, 95% 5GR · METHYL 5-HEXYNOATE, 95%METHYL 5-HEXYNOATE, 95%METHYL 5-HEXYNOATE, 95%METHYL 5-HEXYNOATE, 95%

https://huagongshe.com/de/chemical/534077

Identifikatoren & physikalische Daten

CAS No.	77758-51-1
Summenformel	C7H10O2
Durchschnittliche Molmasse	126,15 g/mol
SMILES	C#CCCCC(=O)OC
InChIKey	LZULAZTXJLWELL-UHFFFAOYSA-N
PubChem CID	534077
EC No.	688-017-5

Chemische & physikalische Eigenschaften

XLogP	1,3
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	4
Schwere Atome	9
Formalladung	0
Komplexität	129
Siedepunkt	60 °C
Dichte	0.960±0.06 g/cm3(Predicted)
Brechungsindex	1.434
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Liquid
Farbe	Clear colorless to pale yellow
InChI	InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h1H,4-6H2,2H3
InChIKey	LZULAZTXJLWELL-UHFFFAOYSA-N
SMILES	C(OC)(=O)CCCC#C

Sicherheit & Vorschriften

GHS-Einstufung	WarningH226 (16.7%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Flam. Liq. 3 (16.7%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29161995
R-Sätze (R)	36/37/38-52
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26

Anwendungen & Verwendung

Verwenden

Methyl 5-hexynoate is used in the synthesis of methyl (Z)-8-chlorooct-7-ene-5-ynoate with (Z)-1,2-dichloro-ethane.