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Diallyl maleate

Diallyl maleate structure

CAS No:
999-21-3
Formula:
C10H12O4
Chemical Name:
Diallyl maleate
Synonyms:
2-Butenedioic acid (2Z)-,1,4-di-2-propen-1-yl ester;Maleic acid,diallyl ester;2-Butenedioic acid (Z)-,di-2-propenyl ester;2-Butenedioic acid (2Z)-,di-2-propenyl ester;Diallyl maleate;105323-33-9;70798-72-0
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Colorless liquid

Liquid

Diallyl maleate Basic Attributes

Molecular Weight：

392.4

Exact Mass：

196.20

EC Number：

213-658-0

DSSTox ID：

DTXSID3044752|DTXSID8062650

HScode：

2917190090

Characteristics

PSA：

52.6

XLogP3：

1.00100

Appearance：

Liquid

Density：

1.0773 g/cm³ @ Temp: 20 °C

Melting Point：

−47 °C(lit.)

Boiling Point：

108-110 °C

Flash Point：

124.6±20.2 °C

Refractive Index：

1.470

Water Solubility：

Soluble in water 151.2 mg/L @ 25°C.

Vapor Pressure：

4 mm Hg ( 25 °C)

Vapor Density：

6.6 (vs air)

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

6.1

safety instructions：

S26-S36/37

RTECS Number：

ON0700000

Marks：

Xn: Harmful;

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H312-H315-H319-H335

GHS Classification：

|Danger|H301 (89.29%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 84 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Diallyl maleate Use and Manufacturing

Methods of Manufacturing

General procedure: The typical procedure for esterification of phthalic anhydride withbutanol is as follows: phthalic anhydride (1 mmol, 0.15 g), butanol(5 mmol, 0.46 mL, 0.37 g) and HFDAIL as catalyst (10 molpercent to phthalicanhydride, 0.05 g) were charged into a 50 mL round bottom flask witha dean-stark apparatus, reflux condenser and a magnetic stirrer. Thenthe mixture was stirred at 125 °C for 7 h. The completion of reactionwas monitored by TLC using (EtOAC/Hexane 2:8) as eluent. After completionof the reaction as indicated by TLC, the product (dibutyl phthalate)was separated simply by extraction with ethyl acetate (3 × 5 mL)and ethyl acetatewas evaporated under vacuum to afford desired productas yellowoil liquid at 95percent yield (0/26 g, boiling point=340 °C). Theobtained product dried under vacuumat 70 °C for 5 h. Viscous ionic liquidcould be reused after removal ofwater under vacuumat 80 °C for 5 hwithout any disposal.

Uses

An agent for the promotion of branching in emulsion polymers

Adhesives and sealant chemicals

Adhesives and sealants

Production

25,000 - 100,000 lb

Manufacturing Info：

All other chemical product and preparation manufacturing|2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester: ACTIVE

Computed Properties

Molecular Weight:196.20
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:196.07355886
Monoisotopic Mass:196.07355886
Topological Polar Surface Area:52.6
Heavy Atom Count:14
Complexity:227
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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