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Home Other Building Blocks 2,2-Dimethyl-1,3-propanediol

2,2-Dimethyl-1,3-propanediol

CAS No.:
126-30-7
Catalog Number:
AG000QO1
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
500g
>99%(GC)
In Stock USA
United States
$143
- +
Product Description
Catalog Number:
AG000QO1
Chemical Name:
2,2-Dimethyl-1,3-propanediol
CAS Number:
126-30-7
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
MDL Number:
MFCD00004685
IUPAC Name:
2,2-dimethylpropane-1,3-diol
InChI:
InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3
InChI Key:
SLCVBVWXLSEKPL-UHFFFAOYSA-N
SMILES:
OCC(CO)(C)C
EC Number:
204-781-0
UNII:
QI80HXD6S5
RTECS Number:
TY5775000
UN Number:
2811
Properties
Complexity:
44  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.084g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
104.149g/mol
Monoisotopic Mass:
104.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
An analytical method for lubricant quality control by NIR spectroscopy. Talanta 20120130
Study of supercooled orientationally disordered binary solid solutions II: cyclohexyl derivatives, neopentanol and neopentylglycol. Physical chemistry chemical physics : PCCP 20091028
Dielectric and calorimetric investigation of an unusual two-component plastic crystal: cyclohexanol-neopentylglycol. Physical chemistry chemical physics : PCCP 20090707
3,3,12,12-Tetra-methyl-1,5,10,14-tetra-oxa-dispiro-[5.2.5.2]hexa-deca-ne. Acta crystallographica. Section E, Structure reports online 20090701
Sequential Ni-catalyzed borylation and cross-coupling of aryl halides via in situ prepared neopentylglycolborane. Organic letters 20080619
Solid-liquid interfacial energy of neopentylglycol. Journal of colloid and interface science 20080415
Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions. Biochemistry 20070807
Rhodium(I)-catalyzed carboxylation of aryl- and alkenylboronic esters with CO2. Journal of the American Chemical Society 20060712
Transition-metal complexes of a bifunctional tetradentate gallium alkoxide ligand. Inorganic chemistry 20020211
Properties