AG001XOG

167871-30-9 | Propanoic acid, 2-methyl-, tetradecyl ester

AG001XOG

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CAS Number	167871-30-9
Catalog Number	AG001XOG(AGN-PC-0JSWHE)
Chemical Name	Propanoic acid, 2-methyl-, tetradecyl ester
IUPAC Name	tetradecyl 2-methylpropanoate
InChI	InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h17H,4-16H2,1-3H3
InChI Key	CFSDKUROIWNCSH-UHFFFAOYSA-N
MDL Number	MFCD30470137
Molecular Formula	C18H36O2
Molecular Weight	284.4772
SMILES	CC(C)C(OCCCCCCCCCCCCCC)=O
Synonyms	Tetradecyl isobutyrate, 167871-30-9, Tetradecyl 2-methylpropanoate, Propanoic acid, 2-methyl-, tetradecyl ester, Propanoic acid, 2-methyl-,tetradecylester, myristyl isobutyrate, AC1LBMN5, SCHEMBL5355248, Tetradecyl 2-methylpropanoate #, CTK6E0217, Isobutyric acid, tetradecyl ester, CFSDKUROIWNCSH-UHFFFAOYSA-N, LMFA07010679, MFCD30470137, AKOS028108683, 2-Methyl-propanoic acid tetradecylester, KS-0000018C, WE(14:0/3:0(2Me)), n-Tetradecyl butanoate, CID560579, Propanoicacid,2-methyl-,tetradecylester, WE(18:0),

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.272g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284.484g/mol
Monoisotopic Mass	284.272g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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