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Benzoin isobutyl ether 90%

CAT: 0286-B03320-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-B03320-01Size:25 g
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CAS Number
22499-12-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008933
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.
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+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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

Benzoin isobutyl ether
CAS Number22499-12-3
PubChem CID90794
IUPAC Name2-(2-methylpropoxy)-1,2-diphenylethanone
Molecular FormulaC18H20O2
Molecular Weight268.3
XLogP4.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity286
SMILES
CC(C)COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H20O2/c1-14(2)13-20-18(16-11-7-4-8-12-16)17(19)15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3
InChIKey
JMVZGKVGQDHWOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoin isobutyl ether
CAS: 22499-12-3
CID: 90794
Formula: C18H20O2
MW: 268.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.3
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass268.146329876
Monoisotopic Mass268.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity286
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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sc-487477BBenzoin Isobutyl Ether
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