AG003OLJ

68443-63-0 | 2-Ethylhexanoic acid N-butyl ester

AG003OLJ

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CAS Number	68443-63-0
Catalog Number	AG003OLJ(AGN-PC-05W3YJ)
Chemical Name	2-Ethylhexanoic acid N-butyl ester
EC Number	270-543-8
IUPAC Name	butyl 2-ethylhexanoate
InChI	InChI=1S/C12H24O2/c1-4-7-9-11(6-3)12(13)14-10-8-5-2/h11H,4-10H2,1-3H3
InChI Key	USPADFUBVAGYOJ-UHFFFAOYSA-N
MDL Number	MFCD00059430
Molecular Formula	C12H24O2
Molecular Weight	200.3178
SMILES	CCCCC(CC)C(OCCCC)=O
Synonyms	Butyl 2-ethylhexanoate, 68443-63-0, 2-ETHYLHEXANOIC ACID N-BUTYL ESTER, Hexanoic acid, 2-ethyl-, butyl ester, 2-Ethylhexanoic Acid Butyl Ester, EINECS 270-543-8, AI3-07950, ACMC-209o3g, AC1Q66UN, SCHEMBL120636, AC1L35Y1, CTK2F3415, USPADFUBVAGYOJ-UHFFFAOYSA-, USPADFUBVAGYOJ-UHFFFAOYSA-N, 2-ethyl hexanoic acid n-butyl ester, ANW-35498, MFCD00059430, SBB061121, AKOS024390931, MCULE-3634959067, TC-124243, E0027, FT-0693111, ST51047180, InChI=1/C12H24O2/c1-4-7-9-11(6-3)12(13)14-10-8-5-2/h11H,4-10H2,1-3H3, AR-1I1166, CID109380, 2-ETHYLHEXANOICACIDN-BUTYLESTER, C12-H24-O2, 6944-37-2,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.178g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.322g/mol
Monoisotopic Mass	200.178g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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