AG003D8M

4461-87-4 | 1,1-Dimethoxybutane

AG003D8M

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CAS Number	4461-87-4
Catalog Number	AG003D8M(AGN-PC-0JMQ0A)
Chemical Name	1,1-Dimethoxybutane
IUPAC Name	1,1-dimethoxybutane
InChI	InChI=1S/C6H14O2/c1-4-5-6(7-2)8-3/h6H,4-5H2,1-3H3
InChI Key	DZKUKLGGGNLHNY-UHFFFAOYSA-N
MDL Number	MFCD22199804
Molecular Formula	C6H14O2
Molecular Weight	118.1742
SMILES	COC(CCC)OC
Synonyms	1,1-Dimethoxybutane, 4461-87-4, Butane, 1,1-dimethoxy-, Butane, dimethoxy-, Butanal dimethyl acetal, 1,1-dimethoxy-butane, Butane,1,1-dimethoxy-, AC1L3CF7, butyraldehyde dimethyl acetal, SCHEMBL26276, CTK4I8342, DTXSID60196251, DZKUKLGGGNLHNY-UHFFFAOYSA-N, KS-000002FK, ZINC5819732, MFCD22199804, AKOS015851547, TR-017132, Butane,dimethoxy-, Butyraldehyde, dimethyl acetal, CID138260,

Complexity	41.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.099g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	118.176g/mol
Monoisotopic Mass	118.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225
Packing Group	Ⅱ
Precautionary statements	P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
UN Code	UN 3271

Certificate of Analysis

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