Heptanol


Chemical Name: Heptanol
CAS Number: 111-70-6
Product Number: AG003QUY(AGN-PC-0BIRYD)
Synonyms:
MDL No:
Molecular Formula: C7H16O
Molecular Weight: 116.2013

Identification/Properties


Properties
MP:
−36 °C(lit.)
BP:
176.4°C
Storage:
Room Temperature;Keep in dry area;
Form:
Liquid
Refractive Index:
n20/D 1.424(lit.)
Solubility:
1g/l
Computed Properties
Molecular Weight:
116.204g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
116.12g/mol
Monoisotopic Mass:
116.12g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
35.4
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:
Warning
UN#:
-
Hazard Statements:
H227-H302+H312+H332-H319-H402
Precautionary Statements:
P210-P261-P264-P270-P271-P273-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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