AG003Q88

5870-68-8 | Ethyl 3-methylpentanoate

AG003Q88

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CAS Number	5870-68-8
Catalog Number	AG003Q88(AGN-PC-0JSWB6)
Chemical Name	Ethyl 3-methylpentanoate
EC Number	227-524-4
FEMA Number	3679
IUPAC Name	ethyl 3-methylpentanoate
InChI	InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3
InChI Key	TXAWGHYFBQBVNK-UHFFFAOYSA-N
MDL Number	MFCD00041390
Molecular Formula	C8H16O2
Molecular Weight	144.2114
SMILES	CCC(C)CC(OCC)=O
Synonyms	Ethyl 3-methylpentanoate, Ethyl 3-methylvalerate, 5870-68-8, Pentanoic acid, 3-methyl-, ethyl ester, Ethyl beta-methylvalerate, Valeric acid, 3-methyl-, ethyl ester, 3-Methylvaleric Acid Ethyl Ester, TXAWGHYFBQBVNK-UHFFFAOYSA-N, 3-Methylpentanoic acid, ethyl ester, MFCD00041390, FEMA No. 3679, EINECS 227-524-4, AC1LBLYB, ethyl 3-methyl valerate, ethyl 3-methyl pentanoate, Ethyl beta -methylvalerate, ACMC-209m6o, Ethyl .beta.-methylvalerate, KSC490A3J, AC1Q650F, SCHEMBL1456349, CTK3J0034, FEMA 3679, Ethyl (+/-)-3-methylpentanoate, 3-Methylvaleric acid ethyl esterer, 3-Methylpentanoic Acid Ethyl Ester, ANW-33022, LMFA07010864, AKOS015841693, MCULE-4014035383, RTR-033120, TRA0081436, KS-000010T5, (S)-3-methyl-pentanoic acid ethyl ester, AN-20018, TR-033120, E0803, FT-0616196, I14-19239, Ethyl3-methylvalerate, UNII-0D51CRF76E, ETHYL3-METHYLPENTANOATE, 0D51CRF76E, AR-1I8884, C8-H16-O2, CID560255, WE(8:0), ? inverted exclamation markA-(+)-2-Methyl-valeriansaeure-ethylester, 5919-84-6,

Complexity	99.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.115g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.214g/mol
Monoisotopic Mass	144.115g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
UN Code	UN 3272

Certificate of Analysis

Lot Number