1-Pentyn-3-ol, 3-ethyl-


Chemical Name: 1-Pentyn-3-ol, 3-ethyl-
CAS Number: 6285-06-9
Product Number: AG003JE5(AGN-PC-0JKGMJ)
Synonyms:
MDL No:
Molecular Formula: C7H12O
Molecular Weight: 112.1696

Identification/Properties


Properties
MP:
-32.2°C
BP:
138.0°C
Form:
Liquid
Refractive Index:
n20/D 1.439
Computed Properties
Molecular Weight:
112.172g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
112.089g/mol
Monoisotopic Mass:
112.089g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
103
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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:
H226
Precautionary Statements:
P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback