AG00EF6P

5921-80-2 | Butane, 1,1-dibutoxy-

AG00EF6P

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CAS Number	5921-80-2
Catalog Number	AG00EF6P(AGN-PC-0JKGCI)
Chemical Name	Butane, 1,1-dibutoxy-
IUPAC Name	1,1-dibutoxybutane
InChI	InChI=1S/C12H26O2/c1-4-7-10-13-12(9-6-3)14-11-8-5-2/h12H,4-11H2,1-3H3
InChI Key	WQRBJFZKPWPIJD-UHFFFAOYSA-N
MDL Number	MFCD00561028
Molecular Formula	C12H26O2
Molecular Weight	202.3336
SMILES	CCCC(OCCCC)OCCCC
Synonyms	1,1-DIBUTOXYBUTANE, 5921-80-2, Butane, 1,1-dibutoxy-, butyraldehyde dibutyl acetal, Butyraldehyde, dibutyl acetal, WQRBJFZKPWPIJD-UHFFFAOYSA-N, Lageracetal, Butane,1,1-dibutoxy-, ButyraldehydeDibutylAcetal, AC1L2JY5, BUTANAL DIBUTYL ACETAL, SCHEMBL351162, CTK1H3544, DTXSID60207957, n-butyraldehyde di-n-butyl acetal, KS-000012XX, ZINC5514072, MFCD00561028, SBB059869, AKOS024390775, MCULE-4265681976, B4218, ST51046134, dibutoxybutane, CID22210, 1,1-dibutoxybutane, 95% - 1G 1g,

Complexity	94.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.193g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.338g/mol
Monoisotopic Mass	202.193g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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