Cas no 31983-42-3 (2-Butenedioic acid(2Z)-, diheptyl ester (9CI))
31983-42-3 structure
Product Name:2-Butenedioic acid(2Z)-, diheptyl ester (9CI)
CAS No:31983-42-3
MF:C18H32O4
MW:312.444286346436
CID:321693
PubChem ID:6432874
Update Time:2025-04-19
2-Butenedioic acid(2Z)-, diheptyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid(2Z)-, diheptyl ester (9CI)
- diheptyl but-2-enedioate
- diheptyl (2Z)-but-2-enedioate
- Diheptyl maleate
- 2-BUTENEDIOIC ACID (2Z)-, 1,4-DIHEPTYL ESTER
- 3P64P4MAPG
- 31983-42-3
- 2-BUTENEDIOIC ACID (Z)-, DIHEPTYL ESTER
- 1,4-Diheptyl (2Z)-2-butenedioate
- 2-BUTENEDIOIC ACID (2Z)-, DIHEPTYL ESTER
- DTXSID101302408
- Q27257847
- NS00051658
- SCHEMBL992843
- MALEIC ACID, DIHEPTYL ESTER
- UNII-3P64P4MAPG
- EINECS 250-884-9
-
- Inchi： 1S/C18H32O4/c1-3-5-7-9-11-15-21-17(19)13-14-18(20)22-16-12-10-8-6-4-2/h13-14H,3-12,15-16H2,1-2H3/b14-13-
- InChI Key： KUUZQLFCCOGXKQ-YPKPFQOOSA-N
- SMILES： O(C(/C=C\C(=O)OCCCCCCC)=O)CCCCCCC
Computed Properties
- Exact Mass: 312.23016
- Monoisotopic Mass: 312.23005950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
2-Butenedioic acid(2Z)-, diheptyl ester (9CI) Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
31983-42-3 (2-Butenedioic acid(2Z)-, diheptyl ester (9CI)) Related Products
- 1330-75-2(Diisooctyl fumarate)
- 1330-76-3(Bis(6-methylheptyl) maleate)
- 2997-85-5(Dioctyl fumarate)
- 142-16-5(Bis(2-ethylhexyl)maleate)
- 19139-31-2(Di-N-hexyl Fumarate)
- 105-76-0(Dibutyl maleate)
- 2915-53-9(Dioctyl maleate)
- 19089-92-0(Hexyl trans-2-butenoate)
- 105-75-9(Dibutyl fumarate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
Recommended suppliers
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
