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Ethyl levulinate

CAT: 0286-E11960-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-E11960-01Size:100 g
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CAS Number
539-88-8
Synonyms
4,6-Dimethoxy-2- (phenoxycarbonyl) amino pyrimidine; Ethyl-4-oxovalerate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009209
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H316 Causes mild skin irritation; H320 Causes 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

Ethyl levulinate

Ethyl levulinate is an oxo carboxylic acid.

CAS Number539-88-8
PubChem CID10883
IUPAC Nameethyl 4-oxopentanoate
Molecular FormulaC7H12O3
Molecular Weight144.17
XLogP0.1
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
CCOC(=O)CCC(=O)C
InChI
InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChIKey
GMEONFUTDYJSNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl levulinate
CAS: 539-88-8
CID: 10883
Formula: C7H12O3
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass144.078644241
Monoisotopic Mass144.078644241
Topological Polar Surface Area43.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
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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