1,3-Diethyl 2-cyclopropylpropanedioate

HCID 12704408CAS 42392-68-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(C(=O)OCC)C1CC1
InChIKey
YWONUDUUMCJFPN-UHFFFAOYSA-N
Molecular formula
C10H16O4
Average molar mass
200.23 g/mol
Monoisotopic mass
200.10485899

Names & identifiers

Preferred name
1,3-Diethyl 2-cyclopropylpropanedioate
IUPAC
diethyl 2-cyclopropylpropanedioate
English name
Diethyl Cyclopropylmalonate
Molecular formula
C10H16O4
Molecular weight
200.23

Names & synonyms

42392-68-71,3-diethyl 2-cyclopropylpropanedioateRefChem:72652835-634-4diethyl cyclopropylmalonatediethyl 2-cyclopropylpropanedioatediethyl 2-cyclopropylmalonateMFCD25963390diethyl2-cyclopropylmalonateDiethyl cyclopropylpropanedioateSCHEMBL9209640YWONUDUUMCJFPN-UHFFFAOYSA-N
Show more names
propanedioic acid, cyclopropyl-, diethyl esterPropanedioic acid, 2-cyclopropyl-, 1,3-diethyl ester
DTXSID901284414SBA39268AKOS027338487AS-61969SY125911DB-0958792-cyclopropyl-propanedioic acid diethyl esterCS-0038375

Database identifiers

CAS
42392-68-7
PubChem CID
12704408
DTXSID
DTXSID901284414
EC Number
835-634-4
Nikkaji
J848.551H

Properties

Computed structural properties

XLogP
2
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
14

Physicochemical properties

Boiling point
236.9 · 236.9±13.0 °C(Predicted)
Density
1.122 · 1.122±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
pka
13.43 · 13.43±0.20(Predicted)
Appearance
Colorless to light yellow Liquid
InChI
InChI=1S/C10H16O4/c1-3-13-9(11)8(7-5-6-7)10(12)14-4-2/h7-8H,3-6H2,1-2H3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers31 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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