Diisopropyl malonate

HCID 83223CAS 13195-64-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)OC(=O)CC(=O)OC(C)C
InChIKey
QRVSDVDFJFKYKA-UHFFFAOYSA-N
Molecular formula
C9H16O4
Average molar mass
188.22 g/mol
Monoisotopic mass
188.10485899

Names & identifiers

Preferred name
Diisopropyl malonate
IUPAC
dipropan-2-yl propanedioate
English name
Diisopropyl malonate
Molecular formula
C9H16O4
Molecular weight
188.22

Names & synonyms

Diisopropyl malonate13195-64-7Propanedioic acid, bis(1-methylethyl) esterCCRIS 8983EINECS 236-156-3AI3-07236DTXSID10157276NSC 406716RefChem:587904DTXCID5079767236-156-3Malonic acid diisopropyl ester
Show more names
DIPMDiisopropyl MalonatDiisopropylMalonate>EthoxyMethyleneMalonicMalonic acid diisopropylTwo isopropylMalonic acidIsosulfan Blue Impurity 7
dipropan-2-yl propanedioate1,3-bis(propan-2-yl) propanedioatediisopropyl propanedioatePropanedioic acid, 1,3-bis(1-methylethyl) esterdiisopropylmalonateMFCD00059359NSC-406716Propanedioic Acid 1,3-bis(1-Methylethyl) Ester; Malonic Acid Diisopropyl Ester; Propanedioic Acid bis(1-Methylethyl) Ester; NSC 406716

Database identifiers

CAS
13195-64-7
PubChem CID
83223
DTXSID
DTXSID10157276
UNII
6HB78DQ4ZJ
EC Number
236-156-3
Nikkaji
J60.745B

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
13

Physicochemical properties

Melting point
-51 °C · -51°C(lit.)
Boiling point
93 · 93-95 °C/12 mmHg (lit.)
Density
0.991 g/mL · 0.991 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.412(lit.)
Flash point
192 °F · 192 °F
storage temp.
Inert atmosphere,Room Temperature

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)

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
hs_code
29171900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

UsesDiisopropyl Malonate is a disinfection byproduct of Isoprothiolane (I874300); a dithiolane pesticide commonly used in agriculture as a fungicide to control planthoppers and blast disease in rice plants.

UsesDiisopropyl malonates may be used in the synthesis of :3-substituted coumarins2-carboisopropoxy-3-hydroxyquinoxaline-di-N-oxide2-carboisopropoxy-3-hydroxy-6-methoxylquinoxaline-di-N-oxide

Upstream & downstream products

Downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

38 records
New reaction record

Linked notes

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