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2-Hydroxyethyl ether

CAT: 0286-H11860-01Size: 2K gDry Ice: NoHazardous: No
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CAT#:0286-H11860-01Size:2K g
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CAS Number
111-46-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002882
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Diethylene Glycol

Diethylene glycol is a hydroxyether.

CAS Number111-46-6
PubChem CID8117
IUPAC Name2-(2-hydroxyethoxy)ethanol
Molecular FormulaC4H10O3
Molecular Weight106.12
XLogP-1.3
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity26
SMILES
C(COCCO)O
InChI
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKey
MTHSVFCYNBDYFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethylene Glycol
CAS: 111-46-6
CID: 8117
Formula: C4H10O3
MW: 106.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight106.12
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass106.062994177
Monoisotopic Mass106.062994177
Topological Polar Surface Area49.7 Ų
Heavy Atom Count7
Formal Charge0
Complexity26.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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