AG003TZX

3681-78-5 | Propyl dodecanoate

AG003TZX

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CAS Number	3681-78-5
Catalog Number	AG003TZX(AGN-PC-0JLQKO)
Chemical Name	Propyl dodecanoate
EC Number	222-961-7
IUPAC Name	propyl dodecanoate
InChI	InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h3-14H2,1-2H3
InChI Key	FTBUKOLPOATXGV-UHFFFAOYSA-N
MDL Number	MFCD00056190
Molecular Formula	C15H30O2
Molecular Weight	242.3975
NSC Number	42573
SMILES	CCCCCCCCCCCC(=O)OCCC
Synonyms	Propyl dodecanoate, Propyl laurate, 3681-78-5, Dodecanoic acid, propyl ester, propionyl dodecanoate, lauric acid propyl ester, FTBUKOLPOATXGV-UHFFFAOYSA-N, AK-92966, PROPYLLAURATE, Propyl laurate #, EINECS 222-961-7, AI3-31997, AC1L2SO6, AC1Q66OA, Propyl dodecanoate, ~99%, Dodecanoic acid, propylester, SCHEMBL332712, AMOT0079, CTK4H7189, KS-00000BPK, DTXSID30190286, NSC42573, ANW-65584, LMFA07010465, MFCD00056190, NSC-42573, SBB060037, ZINC85590383, AKOS014762960, CS-W002270, MCULE-9916183085, TRA0085671, AS-20063, BC620669, SY022094, AB0054816, AX8149301, BC1040186, TX-017933, 4CH-007646, AM20090591, FT-0688410, ST24031574, ST51046293, Z4660, M-9078, WE(3:0/12:0), MFCD00056190 (97+%), C-44006, C15H30O2, CID77255, AR-1L2432, C15-H30-O2, WE(15:0), 38473-18-6,

Complexity	166
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	13
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number