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Didecyl ether

CAT: 0286-D18680-02Size: 50 gDry Ice: NoHazardous: No
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CAT#:0286-D18680-02Size:50 g
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CAS Number
2456-28-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00026539
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
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

Didecyl Ether
CAS Number2456-28-2
PubChem CID17152
IUPAC Name1-decoxydecane
Molecular FormulaC20H42O
Molecular Weight298.5
XLogP9.1
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count18
Heavy Atom Count21
Formal Charge0
Complexity149
SMILES
CCCCCCCCCCOCCCCCCCCCC
InChI
InChI=1S/C20H42O/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey
LTSWUFKUZPPYEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Didecyl Ether
CAS: 2456-28-2
CID: 17152
Formula: C20H42O
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP39.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count18
Exact Mass298.323565959
Monoisotopic Mass298.323565959
Topological Polar Surface Area9.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity149
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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