Pentanoic acid, 4-methyl-


Chemical Name: Pentanoic acid, 4-methyl-
CAS Number: 646-07-1
Product Number: AG003LT3(AGN-PC-001EPC)
Synonyms:
MDL No:
Molecular Formula: C6H12O2
Molecular Weight: 116.1583

Identification/Properties


Properties
MP:
-35 °C
BP:
200.5°C
Storage:
Room Temperature;Keep in dry area;
Form:
Liquid
Refractive Index:
n20/D 1.414(lit.)
Computed Properties
Molecular Weight:
116.16g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
116.084g/mol
Monoisotopic Mass:
116.084g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
76.6
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#:
2810
Hazard Statements:
H311-H315
Precautionary Statements:
P280-P312
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback