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Deg Monobutyl Ether

CAS: 112-34-5 | C8H18O3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 112-34-5
Molecular Formula: C8H18O3
Molecular Weight: 162.22899999999998 g/mol

Names and Synonyms:

Deg Monobutyl Ether
2-(2-Butoxyethoxy)ethan-1-ol
Sinopol BDG-LS
Circuposit Hole Prep 3304
Circuposit 3304
DB
C 4E2
Circuposit Hole Prep 4125
Glycol Ether DB
Butycenol 20P
Butysenol 20
2-(2-n-Butoxyethoxy)ethanol
BDGE 20
Circuposit 4125
Bikanol B 2
Butysenol 20P
Hisolve DB
NSC 407762
BDG
Butyl Diglysolv
K 50181
BDG-NS
NBC
NBC (solvent)
n-Butyl carbitol
Ethanol, 2,2′-oxybis-, monobutyl ether
Butadigol
Ektasolve DB
3,6-Dioxa-1-decanol
Diethylene glycol mono-n-butyl ether
Butyl Oxitol glycol ether
Butoxyethoxyethanol
Butyl digol
Butyl diglycol
Poly-Solv DB
Dowanol DB
Diglycol monobutyl ether
Diethylene glycol monobutyl ether
Diethylene glycol butyl ether
Diethylene glycol n-butyl ether
Butyl dioxitol
O-Butyl diethylene glycol
Butyl Carbitol
2-(2-Butoxyethoxy)ethanol
Ethanol, 2-(2-butoxyethoxy)-

Identifiers:

SMILES:
CCCCOCCOCCO
InChI:
InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3

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
molecular_mass 162.23 g/mol Legacy Database
density 0.95 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/DEG_monobutyl_ether None Legacy Database
cas-boiling-point 230.4 °C None Legacy Database
cas-canonical-smile OCCOCCOCCCC None Legacy Database
cas-density 0.9536 g/cm3 @ Temp: 20 °C None Legacy Database
cas-inchi InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3 None Legacy Database
cas-inchi-key InChIKey=OAYXUHPQHDHDDZ-UHFFFAOYSA-N None Legacy Database
cas-melting-point -68.1 °C None Legacy Database
cas-name Diethylene glycol monobutyl ether None Legacy Database
wikipedia-name DEG monobutyl ether None Legacy Database
LogP 0.812 RDKit

Molecular

Property Value Source
Molecular Weight 162.22899999999998 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 162.125594436 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 11 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 8 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 38.69 Ų RDKit

Molar

Property Value Source
Molar Refractivity 43.63180000000001 RDKit

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