Basic information
- Standard SMILES
COC(=O)C/C=C/CC(=O)OC- InChIKey
CPSQPCGPYWRIPB-ONEGZZNKSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- Dimethyl (E)-hex-3-enedioate
- IUPAC
- dimethyl (E)-hex-3-enedioate
- English name
- trans-3-Hexenedioic acid dimethyl ester
- Molecular formula
- C8H12O4
- Molecular weight
- 172.18
Names & synonyms
25126-93-6dimethyl (E)-hex-3-enedioateDTXSID001347459RefChem:1083669DTXCID901776188Dimethyl trans-3-Hexenedioatetrans-3-Hexenedioic Acid Dimethyl Ester(E)-dimethyl hex-3-enedioateMFCD001454253-Hexenedioic acid, 1,6-dimethyl ester, (3E)-3-Hexenedioic acid, dimethyl ester, (3E)-SCHEMBL869080
Show more names
NSC 222824-Dimethyl hex-2-enedioateHexenedioicaciddimethylester(E)-diMethyl hex-2-enedioateDimethyl trans--Hydromuconate(E)-3-Hexenedioic acid dimethyl
trans dimethyl hex-3-endioateDimethyl (3E)-3-hexenedioateNSC222824AKOS028109438NSC-2228243-Hexenedicarboxylic acid, dimethyl esterAS-47843SY057765
Database identifiers
- CAS
25126-93-6- PubChem CID
- 5372575
- DTXSID
DTXSID001347459- Nikkaji
- J26.305B、J47.054F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 17 °C · 17°C
- Boiling point
- 125 °C · 125°C 2mm
- Density
- 1 · 1,1 g/cm3
- refractive index
- 1.447 to · 1.4470 to 1.4500
- Flash point
- 17 °C · 17 °C
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate, Methanol
- form
- Oil
- color
- Pale Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Safety Statements
- 23 · 23-24/25
- HS Code
- 2917198090 · 2917198090
Safety & regulation
Safety data
- hs_code
- 2917198090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesDimethyl trans-3-Hexenedioate (cas# 25126-93-6_x000D_) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers32 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]
Related reactions
1 records
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