AG003A3C

35363-42-9 | Ethyl Isobutyl Carbonate

AG003A3C

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CAS Number	35363-42-9
Catalog Number	AG003A3C(AGN-PC-0LTAAM)
Chemical Name	Ethyl Isobutyl Carbonate
IUPAC Name	ethyl 2-methylpropyl carbonate
InChI	InChI=1S/C7H14O3/c1-4-9-7(8)10-5-6(2)3/h6H,4-5H2,1-3H3
InChI Key	RZTHZKJOZZSSOV-UHFFFAOYSA-N
MDL Number	MFCD28955638
Molecular Formula	C7H14O3
Molecular Weight	146.1843
SMILES	C(OCC)(OCC(C)C)=O
Synonyms	Ethyl Isobutyl Carbonate, 35363-42-9, Carbonic acid, ethyl isobutyl ester, AC1O4WXR, SCHEMBL304127, ethyl 2-methylpropyl carbonate, CTK8I3745, RZTHZKJOZZSSOV-UHFFFAOYSA-N, CID6420652, Carbonic acid, ethyl 2-methylpropyl ester,

Complexity	99
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.094g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.186g/mol
Monoisotopic Mass	146.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P312+P330-P303+P361+P353-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
UN Code	UN 3272

Certificate of Analysis

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