AG003AQC

539-92-4 | Diisobutyl carbonate

AG003AQC

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CAS Number	539-92-4
Catalog Number	AG003AQC(AGN-PC-0JL8E9)
Chemical Name	Diisobutyl carbonate
EC Number	208-730-3
IUPAC Name	bis(2-methylpropyl) carbonate
InChI	InChI=1S/C9H18O3/c1-7(2)5-11-9(10)12-6-8(3)4/h7-8H,5-6H2,1-4H3
InChI Key	UXXXZMDJQLPQPH-UHFFFAOYSA-N
MDL Number	MFCD00026479
Molecular Formula	C9H18O3
Molecular Weight	174.2374
NSC Number	4009
SMILES	C(OCC(C)C)(OCC(C)C)=O
Synonyms	Isobutyl carbonate, Diisobutyl carbonate, Carbonic acid, bis(2-methylpropyl) ester, 539-92-4, Carbonic acid, diisobutyl ester, bis(2-methylpropyl) carbonate, Carbonic acid diisobutyl ester, UXXXZMDJQLPQPH-UHFFFAOYSA-N, diisobutylcarbonate, NSC 4009, EINECS 208-730-3, di-iso-butyl carbonate, AC1Q1PRW, AC1L29IA, (iso-C4H9O)2C(O), SCHEMBL37351, AC1Q62U8, DTXSID4060236, Carbonic acid, di-isobutyl ester, NSC4009, NSC-4009, ZINC1672945, AKOS024333533, Carbonic acid, diisobutyl ester (8CI), MCULE-7373210570, Diisobutylcarbinyl acetate, C9H18O3, CID68321, AR-1J2617, C9-H18-O3, 5531-67-9,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.126g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.24g/mol
Monoisotopic Mass	174.126g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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