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Structure

1,3-Propanediol,2-butyl-2-ethyl-

CAS
115-84-4
Catalog Number
ACM115844
Category
Other Products
Molecular Weight
160.25g/mol
Molecular Formula
C9H20O2

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Specification

Description
OtherSolid; PelletsLargeCrystals
IUPAC Name
2-butyl-2-ethylpropane-1,3-diol
Canonical SMILES
CCCCC(CC)(CO)CO
InChI
InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3
InChI Key
DSKYSDCYIODJPC-UHFFFAOYSA-N
Boiling Point
262.0 °C
Melting Point
43.8 °C
Complexity
87.6
Covalently-Bonded Unit Count
1
EC Number
204-111-7
Exact Mass
160.14633g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
11
Monoisotopic Mass
160.14633g/mol
NSC Number
406603
Rotatable Bond Count
6
UNII
61P3KJ8K4Y
Vapor Pressure
1.00e-04 mmHg
XLogP3
1.8
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