2,4-Db 2-ethylhexyl ester standard

CAT: 0926-BAA32015-01Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0926-BAA32015-01Size:1000 mg

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CAS Number

1320-15-6

MDL Number

MFCD01632399

Smiles

CC (C) CCCCCOC (=O) CCCOC1=C (C=C (C=C1) Cl) Cl

Molecular Formula

C18H26Cl2O3

Molecular Weight

361.3 g/mol

Controlled

Yes

Chemical Information

2,4-DB isooctyl ester

CAS Number	1320-15-6
PubChem CID	560105
IUPAC Name	6-methylheptyl 4-(2,4-dichlorophenoxy)butanoate
Molecular Formula	C18H26Cl2O3
Molecular Weight	361.3
XLogP	7
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Heavy Atom Count	23
Formal Charge	0
Complexity	323

SMILES

CC(C)CCCCCOC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C18H26Cl2O3/c1-14(2)7-4-3-5-11-23-18(21)8-6-12-22-17-10-9-15(19)13-16(17)20/h9-10,13-14H,3-8,11-12H2,1-2H3

InChIKey

RKZULGKMTDEQNJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1320-15-6

CID: 560105

Formula: C18H26Cl2O3

MW: 361.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.3
XLogP3	7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	360.1259001
Monoisotopic Mass	360.1259001
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	323
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TAA62512-01	2,4-DB-methyl ester
FM183671-01	MCPA 2-ethylhexyl ester
AAA09482	2,4-DB
KAA43359	2,4-DB Sodium
UAA48040	2,4-Db potassium
FE30162-01	2-Ethylhexylphosphonic acid mono-2-ethylhexyl ester
FE70802	2-Ethylhexyl 4-dimethylaminobenzoate
FE68059	2-Ethylhexyl 4-hydroxybenzoate
UDA23274-01	2-Ethylhexyl 4- (4-chloro-2-methylphenoxy) butyrate
FAA45187	2-Ethylhexyl pentanoate

Catalog	Name
CS-O-37972	2,4-DB-2-ethylhexyl ester
AR-B02334-01	2,4-DB methyl ester
420047-01	2,4-DB methyl ester solution
420349-01	2,4,5-T-2-Ethylhexyl Ester
AR-A01237-01	2,4-Dichlorophenoxyacetic Acid-2-ethylhexyl ester
OR1011588-01	4-Methoxycinnamic Acid 2-Ethylhexyl Ester
HY-W011588R	2-Ethylhexyl 4- (dimethylamino) benzoate (Standard)
446697-01	Dichloroprop-2-ethylhexyl ester
TRC-E193600-750MG	Indomethacin 2-Ethylhexyl Ester
AR-K01055-01	Ketoprofen 2-Ethylhexyl Ester