(E)-3-Methylpent-2-en-4-yn-1-ol

Enynic Alcohol · trans-3-Methyl-2-penten-4-ynol · (E)-3-Methylpent-3-en-1-yn-5-ol · (E)-3-methyl-1-pent-2-en-4-ynol · (E)-3-Methylpent-2-en-4-yn-1-ol · (E)-3-Methyl-2-penten-4-yn-1-ol · Trans-3-Methyl-2-Penten-4-Yn-1-Ol · trans-3-Methyl-2-pentene-4-yn-1-ol

https://huagongshe.com/de/chemical/5367604

Molekülstruktur von (E)-3-Methylpent-2-en-4-yn-1-ol

Identifikatoren & physikalische Daten

CAS No.	6153-06-6
Summenformel	C6H8O
Durchschnittliche Molmasse	96,13 g/mol
Monoisotopische Masse	96,05751487 g/mol
SMILES	C#C/C(C)=C/CO
InChIKey	ZSJHASYJQIRSLE-GQCTYLIASA-N
PubChem CID	5367604
EC No.	228-169-8
DTXSID	DTXSID501334885
Lokaler Name	(E)-3-Methylpent-2-en-4-yn-1-ol

Chemische & physikalische Eigenschaften

XLogP	0,9
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	7
Formalladung	0
Komplexität	113
Siedepunkt	171°C
Dichte	0.940
Brechungsindex	1.4445-1.4465
Flammpunkt	65°C
pKa (Säurekonstante)	13.80±0.10(Predicted)
InChI	InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3/b6-4+
InChIKey	ZSJHASYJQIRSLE-GQCTYLIASA-N
SMILES	C(O)/C=C(\C)/C#C

Sicherheit & Vorschriften

GHS-Einstufung	DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	REACH registered substance: (E)-3-methylpent-2-en-4-yn-1-ol (EC: 228-169-8)
Hazard Classes and Categories	Skin Corr. 1B (100%)
UN-Transportnummer	UN 1760
R-Sätze (R)	22-36/37/38
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-37/39

Anwendungen & Verwendung

Verwenden

(E)-3-Methylpent-2-en-4-yn-1-ol is a terminal alkyne and a useful building block for organic synthesis.