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Diethyl 2-acetylglutarate, 98%

CAT: 0286-D19610-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-D19610-01Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1501-06-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009158
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

Diethyl 2-acetylglutarate
CAS Number1501-06-0
PubChem CID73915
IUPAC Namediethyl 2-acetylpentanedioate
Molecular FormulaC11H18O5
Molecular Weight230.26
XLogP0.9
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count16
Formal Charge0
Complexity259
SMILES
CCOC(=O)CCC(C(=O)C)C(=O)OCC
InChI
InChI=1S/C11H18O5/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3
InChIKey
NNOGMCQLKMLNPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl 2-acetylglutarate
CAS: 1501-06-0
CID: 73915
Formula: C11H18O5
MW: 230.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.26
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass230.11542367
Monoisotopic Mass230.11542367
Topological Polar Surface Area69.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity259
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
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