AG0036UN

6624-71-1 | Dodecyl isobutyrate

AG0036UN

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CAS Number	6624-71-1
Catalog Number	AG0036UN(AGN-PC-0JOHIA)
Chemical Name	Dodecyl isobutyrate
EC Number	229-583-1
FEMA Number	3452
IUPAC Name	dodecyl 2-methylpropanoate
InChI	InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3
InChI Key	LDPLLPONRGVDGK-UHFFFAOYSA-N
MDL Number	MFCD00129690
Molecular Formula	C16H32O2
Molecular Weight	256.4241
NSC Number	53823
SMILES	C(C(C)C)(=O)OCCCCCCCCCCCC
UNII	02470X34WD
Synonyms	Dodecyl isobutyrate, 6624-71-1, Lauryl isobutyrate, Dodecyl 2-methylpropanoate, Propanoic acid, 2-methyl-, dodecyl ester, Isobutyric acid, dodecyl ester, Lauryl 2-methylpropanoate, UNII-02470X34WD, LDPLLPONRGVDGK-UHFFFAOYSA-N, 02470X34WD, Isobutyric acid, dodecyl ester (8CI), FEMA No. 3452, EINECS 229-583-1, NSC 53823, AC1L6C4D, AC1Q67BU, Dodecyl 2-methylpropanoate #, SCHEMBL2351893, DTXSID4064424, CTK5C3815, FEMA 3452, KS-000001VT, NSC53823, 2-Methylpropionic acid dodecyl ester, LMFA07010842, MFCD00129690, NSC-53823, ZINC86051998, AKOS028108630, DS-3339, Propanoic acid,2-methyl-, dodecyl ester, AK554463, AN-20091, DODECYLISOBUTYRATE, AR-1J3040, CID243691, C16-H32-O2, WE(16:0), 7424-67-1,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.24g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.43g/mol
Monoisotopic Mass	256.24g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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