AG0029S5

2050-01-3 | Propanoic acid, 2-methyl-, 3-methylbutyl ester

AG0029S5

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CAS Number	2050-01-3
Catalog Number	AG0029S5(AGN-PC-0JS934)
Chemical Name	Propanoic acid, 2-methyl-, 3-methylbutyl ester
EC Number	218-078-1
FEMA Number	3507
IUPAC Name	3-methylbutyl 2-methylpropanoate
InChI	InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChI Key	VFTGLSWXJMRZNB-UHFFFAOYSA-N
MDL Number	MFCD00053719
Molecular Formula	C9H18O2
Molecular Weight	158.2380
SMILES	CC(C)C(OCCC(C)C)=O
UNII	RF0ZT103EG
Synonyms	Isoamyl isobutyrate, Isopentyl isobutyrate, 2050-01-3, Isobutyric Acid Isoamyl Ester, 3-Methylbutyl 2-methylpropanoate, Propanoic acid, 2-methyl-, 3-methylbutyl ester, Isobutyric acid, isopentyl ester, 3-Methylbutyl isobutyrate, Isoamyl 2-methylpropanoate, Isopentyl 2-methylpropanoate, Isoamyl isobutanoate, Isopentyl isobutanoate, iso-Amyl iso-butyrate, UNII-RF0ZT103EG, RF0ZT103EG, 3-Methyl-1-butyl isobutyrate, Isopentyl alcohol, isobutyrate, 3-Methylbutyl 2-methylpropionate, MFCD00053719, Isobutyric acid isoamyl, AC1LAT2Q, iso amyl 2-methyl propanoate, KSC492K9F, SCHEMBL351059, ACMC-20979f, FEMA No. 3507, Isopentyl 2-methylpropanoate #, DTXSID0062131, CHEBI:87537, CTK3J2592, FEMA 3507, KS-00000YJS, VFTGLSWXJMRZNB-UHFFFAOYSA-N, Isoamyl isobutyrate, >=98%, FG, ZINC2515951, EINECS 218-078-1, ANW-13681, LMFA07010572, AKOS015907978, MCULE-3390836356, Isoamyl isobutyrate, natural, 98%, FG, AS-14782, CJ-08714, M579, 2-methylpropanoic acid 3-methylbutyl ester, WE(4:0(3Me)/3:0(2Me)), 3-Methylbutyl 2-methylpropanoate (natural), AI3-33583, RT-000793, FT-0627322, I0676, A814610, I14-2592, InChI=1/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H, Isopentylisobutyrate, C9H18O2, CID519786, WE(9:0), Isoamyl isobutyrate, 99% - 100G 100g,

Complexity	117
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.131g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.241g/mol
Monoisotopic Mass	158.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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