Heptane, 2,2,4,6,6-pentamethyl-


Chemical Name: Heptane, 2,2,4,6,6-pentamethyl-
CAS Number: 13475-82-6
Product Number: AG003F86(AGN-PC-0JKIKI)
Synonyms:
MDL No:
Molecular Formula: C12H26
Molecular Weight: 170.3348

Identification/Properties


Properties
MP:
-67°C
BP:
177.8°C
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.419
Computed Properties
Molecular Weight:
170.34g/mol
XLogP3:
5.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
4
Exact Mass:
170.203g/mol
Monoisotopic Mass:
170.203g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
104
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#:
2286
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P210-P233-P240-P241-P242-P243-P260-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P370+P378-P403-P403+P233-P403+P235-P405-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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