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Diallyl but-2-enedioate

HCID 76050
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
999-21-3
Standard SMILES
C=CCOC(=O)C=CC(=O)OCC=C
InChIKey
ZPOLOEWJWXZUSP-UHFFFAOYSA-N
Molecular formula
C10H12O4
Average molar mass
196.2 g/mol
Monoisotopic mass
196.07355886

Names & identifiers

Preferred name
Diallyl but-2-enedioate
IUPAC
bis(prop-2-enyl) but-2-enedioate
English name
Diallyl maleate
Molecular formula
C10H12O4
Molecular weight
196.2

Names & synonyms

999-21-3diallyl but-2-enedioateDiallyl Maleate (stabilized with HQ)Diallyl maleate, 97%SCHEMBL36140SCHEMBL14863776DB-05781425750-69-0sipomerdamSipomer damdlallylmaleateDiallyl Maleat
Show more names
Dially MaleateDIALLYL MALEATEDIALLYL MALLEATEDiallylMaleate>Diallylmaleate,95%Maleic acid diallyl

Database identifiers

CAS
999-21-3
PubChem CID
76050
EC Number
213-658-0

Properties

Computed structural propertiesFilling in

XLogP
1.5
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
14
Formal charge
0
Complexity
227

Physicochemical properties

Melting point
-47 °C · -47 °C
Boiling point
154 °C/15 · 154 °C/15 mmHg
Density
1.08 · 1.08
vapor density
6.6 · 6.6 (vs air)
vapor pressure
4 mm · 4 mm Hg ( 25 °C)
refractive index
1.47 · 1.47
Flash point
130 °C · 130 °C
storage temp.
2 · 2-8°C
form
clear liquid
color
Colorless to Almost colorless
Odor
pungent odor
Water Solubility
151.2 mg/L · Soluble in water 151.2 mg/L @ 25°C.
BRN
1725954 · 1725954
InChI
1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-
InChIKey
ZPOLOEWJWXZUSP-WAYWQWQTSA-N
SMILES
C=CCOC(=O)\C=C/C(=O)OCC=C

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
ON0700000
ridadr
UN 2810 6.1/PG 3
hs_code
29171900
risk_code
21/22-36/37/38-22-20/21
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
Xn
safety_code
26-36/37
hazard_class
6.1
Storage Class
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group
III
target organs
Respiratory system
Hazard statements
H301-H312-H315-H319-H335
REACH Registrations
Active
Hazard Classifications
Acute Tox. 3 OralAcute Tox. 4 DermalEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P280-P301+P310+P330-P302+P352+P312-P305+P351+P338

Chemistry & industry

Applications

UsesAn agent for the promotion of branching in emulsion polymers

UsesDiallyl maleate has potential applications in polyester resins, adhesives, and ion exchange resins. When used at low levels, Diallyl Maleate is an effective agent for the promotion of branching in emulsion polymers.

Preparation methods

PreparationDiallyl maleate is obtained by the sulfuric acid-catalyzed esterification of maleic anhydride with propyl alcohol.

Upstream & downstream products

Upstream raw materials

p-Toluenesulfonic acidCopperMaleic anhydrideDichloromethaneAllyl alcohol

Downstream products

Dipropyl succinate

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

1 records
New reaction record
HRID 1148110 reaction equation
HRID 1148110As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
LogP
2.126 · 2.126 (est)
CAS DataBase Reference
999 · 999-21-3(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances
DIALLYL MALEATE
FDA 21 CFR
175.105 · 175.105; 175.320; 176.170;176.180
FDA UNII
227660 Q54M · 227660Q54M
EPA Substance Registry System
Diallyl maleate (999-21-3)
UNSPSC Code
12162002 · 12162002
NACRES
23 · NA.23
Symbol(GHS)
6 · GHS06
Signal word
Danger
Hazard statements
301 · H301-H312-H315-H319-H335
Precautionary statements
280 · P280-P301+P310+P330-P302+P352+P312-P305+P351+P338
target organs
Respiratory system
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
Xn
Risk Statements
21 · 21/22-36/37/38-22-20/21
Safety Statements
26 · 26-36/37
RIDADR
2810 · UN 2810 6.1/PG 3
WGK Germany
3 · 3
RTECS
700000 · ON0700000
TSCA
TSCA listed
HazardClass
6.1 · 6.1
PackingGroup
III
HS Code
29171900 · 29171900
Storage Class
6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
3 OralAcute · Acute Tox. 3 OralAcute Tox. 4 DermalEye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations
Active
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
北京穹峰科技有限公司13552142508 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
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嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
武汉欣扬瑞和化学科技有限公司027-83855316 18171155316 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
越林试剂021-62960152 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
桦特昇生物科技(武汉)有限公司027-59207879 1972026995 18140587686 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海西陇生化科技有限公司021-52907766-8042