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Home Other Building Blocks 3-[2-(Ethylhexyl)oxyl]-1,2-propandiol

3-[2-(Ethylhexyl)oxyl]-1,2-propandiol

CAS No.:
70445-33-9
Catalog Number:
AG0036RB
Molecular Formula:
C11H24O3
Molecular Weight:
204.3065
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$50
- +
10g
95%
In Stock USA
United States
$63
- +
25g
95%
In Stock USA
United States
$100
- +
100g
97%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0036RB
Chemical Name:
3-[2-(Ethylhexyl)oxyl]-1,2-propandiol
CAS Number:
70445-33-9
Molecular Formula:
C11H24O3
Molecular Weight:
204.3065
MDL Number:
MFCD03790878
IUPAC Name:
3-(2-ethylhexoxy)propane-1,2-diol
InChI:
InChI=1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3
InChI Key:
NCZPCONIKBICGS-UHFFFAOYSA-N
SMILES:
CCCCC(COCC(CO)O)CC
Properties
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.173g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
204.31g/mol
Monoisotopic Mass:
204.173g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Allergic contact dermatitis to ethylhexylglycerin and pentylene glycol. Contact dermatitis 20090901
Allergic contact dermatitis to ethylhexylglycerin in a cream. Contact dermatitis 20070901
Properties