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Methyl 4-Hydroxy-2-Hexynoate
[CAS 112780-04-8]

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Identification
Name Methyl 4-Hydroxy-2-Hexynoate
Synonyms Methyl 4-hydroxy-2-hexynoate; 4-Hydroxy-2-hexynoic acid methyl ester; methyl 4-hydroxyhex-2-yneoate
Molecular Structure CAS#: 112780-04-8, Methyl 4-Hydroxy-2-Hexynoate
Molecular Formula C7H10O3
Molecular Weight 142.15
CAS Registry Number 112780-04-8
SMILES CCC(C#CC(=O)OC)O
InChI 1S/C7H10O3/c1-3-6(8)4-5-7(9)10-2/h6,8H,3H2,1-2H3
InChIKey GMESNUCOCRRYJV-UHFFFAOYSA-N
Properties
Density 1.1±0.1g/cm3 (Cal.)
1.044-1.164 (Expl.)
Boiling point 235.5±23.0°C at 760 mmHg (Cal.)
Flash point 93.5±16.1°C (Cal.)
Refractive index 1.462 (Expl.)
1.467 (Cal.)
Safety Data
Safety Code S23;S24;S26;S37  Details
Risk Code R36/37/38;R43  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
CAUTION: May irritate eyes, skin, and respiratory tract
SDS Available
References
(1) Stanley A. Knott, Jeffrey N. Templeton, Jessica L. Durham, Angela M. Howard, Robert McDonald and Lisa F. Szczepura. Azide alkyne cycloaddition facilitated by hexanuclear rhenium chalcogenide cluster complexes, Dalton Trans., 2013, 42, 8132.
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