Diethyl isopropylidenemalonate

CAT: 1266-JH744536Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

6802-75-1

UN Code

UN 1866

Hazard Statement

HS Code

HS2917190090

Stability

Stable. Incompatible with strong oxidizing agents.

Molecular Formula

C10H16O4

Molecular Weight

200.23

Product Name Synonym

Diethyl 2-propan-2-ylidenepropanedioate

Physical Properties

Colorless or light yellow liquid

Hazardous Class

6.1 (b)

Safety Statements

S23-S24/25

Density

1.021

Flash Point

229

RIDADR

UN 1866

Melting Point

276oC

Chemical Information

Diethyl isopropylidenemalonate

CAS Number	6802-75-1
PubChem CID	81255
IUPAC Name	diethyl 2-propan-2-ylidenepropanedioate
Molecular Formula	C10H16O4
Molecular Weight	200.23
XLogP	2.4
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	229

SMILES

CCOC(=O)C(=C(C)C)C(=O)OCC

InChI

InChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3

InChIKey

WEISAZNMMVPNTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6802-75-1

CID: 81255

Formula: C10H16O4

MW: 200.23

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	200.23
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	200.10485899
Monoisotopic Mass	200.10485899
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
sc-239734	Diethyl isopropylidenemalonate
010492	Dimethyl Isopropylidenemalonate
TRC-P359432-10MG	Diethyl phosphate-d10 (diethyl-d10)
D24360-01	Diethyl phosphonacetaldehyde diethyl acetal 98%
B9076	Butyronitrile Diethyl Malonate (Diethyl-3-cyanopropylmalonate)
070975	Diethyl Carbamyl Chloride (Diethyl Carbamoyl Chloride)
sc-202574A	Diethyl Pyrocarbonate
CS-T-81223	Mefenpyr-diethyl
FD61056-01	Diethyl Chlorothiophosphate
FD21801-01	Diethyl phthalate

Diethyl isopropylidenemalonate

Chemical Information

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