1-Penten-4-yn-3-ol, 3-methyl-


Chemical Name: 1-Penten-4-yn-3-ol, 3-methyl-
CAS Number: 3230-69-1
Product Number: AG003QJU(AGN-PC-0JM2PL)
Synonyms:
MDL No:
Molecular Formula: C6H8O
Molecular Weight: 96.1271

Identification/Properties


Properties
MP:
25°C (estimate)
BP:
63-65 °C100 mm Hg(lit.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.446(lit.)
Computed Properties
Molecular Weight:
96.129g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
96.058g/mol
Monoisotopic Mass:
96.058g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
117
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1987
Hazard Statements:
H302-H315-H319-H226
Precautionary Statements:
P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback