Bis (2-Ethylhexyl) Fumarate

CAT: 0127-OR1029084-01Size: 5 mLDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1029084-01Size:5 mL

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

141-02-6

Synonyms

Bis (2-ethylhexyl) (E) -but-2-enedioate

Purity

98%

Smiles

CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC

Chemical Information

2-Ethylhexyl fumarate

CAS Number	141-02-6
PubChem CID	5370325
IUPAC Name	bis(2-ethylhexyl) (E)-but-2-enedioate
Molecular Formula	C20H36O4
Molecular Weight	340.5
XLogP	6.5
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Heavy Atom Count	24
Formal Charge	0
Complexity	329

SMILES

CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC

InChI

InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13+

InChIKey

ROPXFXOUUANXRR-BUHFOSPRSA-N

Chemical Structure

2D Structure

CAS: 141-02-6

CID: 5370325

Formula: C20H36O4

MW: 340.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.5
XLogP3	6.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Exact Mass	340.26135963
Monoisotopic Mass	340.26135963
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	329
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1040843-01	Bis (2-ethylhexyl) carbonate
OR1024489-01	Bis (2-Ethylhexyl) Phthalate
OR93675-01	Bis (2-ethylhexyl) adipate
BUP07211-01	Bis (2-ethylhexyl) hexanedioate
OR1046543-01	Bis (2-ethylhexyl) succinate
OR1039699-01	Bis (2-ethylhexyl) glutarate
OR1000053-01	Bis (2-ethylhexyl) phosphate
OR1025089-01	Bis (2-Ethylhexyl) Phosphite
OR1023572	Bis (2-Ethylhexyl) Dodecanedioate
OR1030737-01	Bis (2-Ethylhexyl) Amine

Catalog	Name
AR-F11039-01	Bis (2-ethylhexyl) Fumarate
TRC-B592035-10ML	Bis(2-ethylhexyl) Fumarate
D23150-01	Di (2-ethylhexyl) fumarate 98%
RM-D193302-01	Diroximel Fumarate Impurity 2
AR-F11038-01	Dimethyl Fumarate Impurity 2
RM-B050402-01	Bedaquiline Fumarate Impurity 2
TRC-A357560-500MG	2-Aminoethyl Methyl Fumarate
TRC-E409120-250MG	2′-(Ethyl fumarate) Erythromycin
HY-107829-01	3-Aminopropionitrile fumarate (2:1)
TMIJ-0361-01	Dimethyl Fumarate-2,3-d2