AG002M2S

2306-91-4 | N-Capric acid isoamyl ester

AG002M2S

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CAS Number	2306-91-4
Catalog Number	AG002M2S(AGN-PC-0JLPA6)
Chemical Name	N-Capric acid isoamyl ester
EC Number	218-982-6
IUPAC Name	3-methylbutyl decanoate
InChI	InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
InChI Key	XDOGFYDZGUDBQY-UHFFFAOYSA-N
MDL Number	MFCD00053822
Molecular Formula	C15H30O2
Molecular Weight	242.3975
SMILES	CCCCCCCCCC(OCCC(C)C)=O
UNII	Z10YO60833
Synonyms	Isoamyl decanoate, Isopentyl decanoate, 2306-91-4, Decanoic acid, 3-methylbutyl ester, 3-Methylbutyl decanoate, isoamyl caprate, iso-Amyl n-decanoate, n-Capric acid isoamyl ester, UNII-Z10YO60833, Pentadecanoic acid, 3-methylbutyl ester, Decanoic acid,3-methylbutyl ester, Z10YO60833, Isoamyl decanoate (natural), Isopentyl decylate, iso amyl decanoate, EINECS 218-982-6, Isopentyl decanoate #, AC1L2OIF, ACMC-209g0r, AC1Q66JF, Decanoic Acid Isoamyl Ester, SCHEMBL334155, Isopentyl decanoate, AldrichCPR, DTXSID7062320, CTK4F0831, XDOGFYDZGUDBQY-UHFFFAOYSA-N, ZINC1841324, ANW-25033, LMFA07010758, MFCD00053822, AKOS028108498, 3-Methylbuthyl ester pentadecanoic acid, AN-19894, 3-Methylbuthyl ester of pentadecanoic acid, TC-113778, D0019, I14-106130, UNII-14OG46E98E component XDOGFYDZGUDBQY-UHFFFAOYSA-N, Decanoic acid 3-methylbutyl ester, C15H30O2, CID75320, AR-1J2586, C15-H30-O2, WE(15:0), 2362-63-2,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.225g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.403g/mol
Monoisotopic Mass	242.225g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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