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Isopropyl-2-ethylhexanoate 99%

CAT: 0286-I09883Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-I09883Size:100 g
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CAS Number
172354-89-1
Synonyms
2-Ethylhexanoic acid n-propyl ester
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00048820
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

Hexanoic acid, 2-ethyl-, C12-15-alkyl esters
CAS Number172354-89-1
PubChem CID222339
IUPAC Namepropyl 2-ethylhexanoate
Molecular FormulaC11H22O2
Molecular Weight186.29
XLogP3.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity132
SMILES
CCCCC(CC)C(=O)OCCC
InChI
InChI=1S/C11H22O2/c1-4-7-8-10(6-3)11(12)13-9-5-2/h10H,4-9H2,1-3H3
InChIKey
IHIQOKFJGANDOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexanoic acid, 2-ethyl-, C12-15-alkyl esters
CAS: 172354-89-1
CID: 222339
Formula: C11H22O2
MW: 186.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.29
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass186.161979940
Monoisotopic Mass186.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M37423-01Isopropyl 2-ethylhexanoate
289361-01Sodium 2-ethylhexanoate
JH230998Silver,2-ethylhexanoate
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TRC-B684437-1GButyl 2-Ethylhexanoate
BUP11393-01Ethyl 2-ethylhexanoate
BUP11350-01Methyl 2-ethylhexanoate
36933-35Zinc 2-Ethylhexanoate
GTR19243547-01Isobutyl 2-ethylhexanoate
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