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2-Butoxyethanol

CAS: 111-76-2 | C6H14O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 111-76-2
Molecular Formula: C6H14O2
Molecular Weight: 118.17599999999999 g/mol

Names and Synonyms:

2-Butoxyethanol
R 1171
Monoethyleneglycol butyl ether
BCS
Dabco PM 300
Simple Green
SG
Mearcell 3532
Butyl icinol
DB solvent
K Foam Lo
Bikanol B 1
Eastman EB
NSC 60759
Buchiseru
Butyl Glysolv
Glycol EB
EGBE
2-n-Butoxyethanol
C4E1
n-Butyl cellosolve
Minex BDH
Butyl monoether glycol
Ektasolve EB
Chimec NR
Ethylene glycol mono-n-butyl ether
Butyl Cellu-Sol
β-Butoxyethanol
Ethylene glycol n-butyl ether
Ethylene glycol butyl ether
Butyl Oxitol
Poly-Solv EB
3-Oxa-1-heptanol
Monobutyl glycol ether
Glycol monobutyl ether
Glycol butyl ether
Gafcol EB
Ethylene glycol monobutyl ether
Dowanol EB
Butyl glycol
O-Butyl ethylene glycol
Butyl Cellosolve
2-Butoxy-1-ethanol
2-Butoxyethanol
Ethanol, 2-butoxy-

Identifiers:

SMILES:
CCCCOCCO
InChI:
InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
density 0.90 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/2-Butoxyethanol None Legacy Database
cas-boiling-point 168.4 °C None Legacy Database
cas-canonical-smile OCCOCCCC None Legacy Database
cas-density 0.9012 g/cm3 @ Temp: 20 °C None Legacy Database
cas-inchi InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3 None Legacy Database
cas-inchi-key InChIKey=POAOYUHQDCAZBD-UHFFFAOYSA-N None Legacy Database
cas-melting-point -74.8 °C None Legacy Database
cas-name 2-Butoxyethanol None Legacy Database
wikipedia-name 2-Butoxyethanol None Legacy Database
molecular_mass 118.18 g/mol Legacy Database
LogP 0.7953999999999999 RDKit

Molecular

Property Value Source
Molecular Weight 118.17599999999999 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 118.099379688 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 8 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 5 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 29.46 Ų RDKit

Molar

Property Value Source
Molar Refractivity 32.81279999999998 RDKit

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