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Pentyl ether

CAT: 0286-P04690-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-P04690-01Size:25 g
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CAS Number
693-65-2
UN Code
UN3271
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009501
Hazard Statement
H226 Flammable liquid and vapor; 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
Ethers, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; 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; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

Pentyl ether

diesel fuel additive

CAS Number693-65-2
PubChem CID12743
IUPAC Name1-pentoxypentane
Molecular FormulaC10H22O
Molecular Weight158.28
XLogP3.7
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Heavy Atom Count11
Formal Charge0
Complexity53
SMILES
CCCCCOCCCCC
InChI
InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
InChIKey
AOPDRZXCEAKHHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentyl ether
CAS: 693-65-2
CID: 12743
Formula: C10H22O
MW: 158.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.28
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass158.167065321
Monoisotopic Mass158.167065321
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity53.9
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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