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Diethyl N-propylmalonate

CAT: 0286-D24520-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-D24520-01Size:25 g
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CAS Number
2163-48-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009168
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 propylmalonate
CAS Number2163-48-6
PubChem CID16552
IUPAC Namediethyl 2-propylpropanedioate
Molecular FormulaC10H18O4
Molecular Weight202.25
XLogP2.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count14
Formal Charge0
Complexity171
SMILES
CCCC(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C10H18O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h8H,4-7H2,1-3H3
InChIKey
GRRSDGHTSMJICM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl propylmalonate
CAS: 2163-48-6
CID: 16552
Formula: C10H18O4
MW: 202.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass202.12050905
Monoisotopic Mass202.12050905
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity171
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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Alternative Products

CatalogName
D3551-30Diethyl Propylmalonate
sc-278957Diethyl di-n-propylmalonate
446761-01Diethyl (4-Pentenyl) propylmalonate
272144-01Diethyl 2-methyl-2-propylmalonate
AR-V01101-01Diethyl 2-isopropyl-2-propylmalonate
PC4047-01Diethyl 3- (perfluoroalkyl) propylmalonate; n=6, 8, 10
HY-W699428-01Diethyl 2- (methyl-d3) -2-propylmalonate
D3551-04Diethyl 2-Methyl-d3-2-propylmalonate
TRC-D444250-1GDiethyl N,N-Diisopropylphosphoramidite
sc-331451N, N-Diethyl chlorofluoroacetamide

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