AG002XHJ

2915-72-2 | Benzoic acid, dodecyl ester

AG002XHJ

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CAS Number	2915-72-2
Catalog Number	AG002XHJ(AGN-PC-0JLPV9)
Chemical Name	Benzoic acid, dodecyl ester
IUPAC Name	dodecyl benzoate
InChI	InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3
InChI Key	DLAHAXOYRFRPFQ-UHFFFAOYSA-N
MDL Number	MFCD07787440
Molecular Formula	C19H30O2
Molecular Weight	290.4403
SMILES	CCCCCCCCCCCCOC(=O)c1ccccc1
UNII	N4F51K239A
Synonyms	Dodecyl benzoate, Benzoic acid, dodecyl ester, Lauryl benzoate, 2915-72-2, Alkyl (C12-15) benzoate, Benzoic acid dodecyl ester, UNII-N4F51K239A, 68411-27-8, N4F51K239A, Benzoic acid, C12-15-alkyl esters, C12-15 Alkyl benzoate, EINECS 220-837-7, EINECS 270-112-4, Alkyl (C12-15) Benzoate [USAN], Benzoic acid dodecylester, AC1L2QEG, Benzoic acid, dodecylester, EC 270-112-4, C12-C15 Alkyl Benzoate, SCHEMBL526616, AC1Q67C5, CHEMBL472518, Jsp005561, DTXSID1062706, CTK4G2825, DLAHAXOYRFRPFQ-UHFFFAOYSA-N, Alkyl (C12-15) benzoate [NF], Benzoic acid, C12-15 alkyl ester, Benzoic acid, C12-15 alkyl esters, ZINC44418292, AKOS015965336, AC-20375, AN-38100, UNII-A9EJ3J61HQ component DLAHAXOYRFRPFQ-UHFFFAOYSA-N, UNII-N5RS934G6D component DLAHAXOYRFRPFQ-UHFFFAOYSA-N, UNII-Y15I6XI14C component DLAHAXOYRFRPFQ-UHFFFAOYSA-N, UNII-A9EJ3J61HQ, A9EJ3J61HQ, Benzoic acid C12-15-alkyl esters, C19H30O2, CID76204, AR-1J3039, C19-H30-O2, Benzoic acid, C12- 15- alkyl esters, 6941-80-6,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.225g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.447g/mol
Monoisotopic Mass	290.225g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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