AG003ROR

868-57-5 | Methyl 2-methylbutyrate

AG003ROR

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CAS Number	868-57-5
Catalog Number	AG003ROR(AGN-PC-0D8ZR2)
Chemical Name	Methyl 2-methylbutyrate
EC Number	212-778-0
FEMA Number	2719
IUPAC Name	methyl 2-methylbutanoate
InChI	InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChI Key	OCWLYWIFNDCWRZ-UHFFFAOYSA-N
MDL Number	MFCD00009335
Molecular Formula	C6H12O2
Molecular Weight	116.1583
SMILES	CCC(C)C(OC)=O
Synonyms	Methyl 2-methylbutyrate, 868-57-5, METHYL 2-METHYLBUTANOATE, 2-Methylbutyric acid methyl ester, Butanoic acid, 2-methyl-, methyl ester, methyl 2-methyl butyrate, Methyl (S)-2-Methylbutanoate, Methyl DL-2-Methylbutyrate, Butyric acid, 2-methyl-, methyl ester, dl-2-Methylbutyric acid methyl ester, METHYL2-METHYLBUTYRATE, CHEBI:88538, OCWLYWIFNDCWRZ-UHFFFAOYSA-N, MFCD00009335, Methyl 2-methylbutyrate, 98%, Methyl alpha-methylbutyrate, Methyl alpha-methylbutanoate, FEMA No. 2719, gooseberry butyrate, Methyl 2-methylbutyrate (natural), EINECS 212-778-0, Methyl anteisovalerate, methyl-2-methylbutyrate, AI3-34461, methyl 2 methyl butyrate, methyl-2-methyl butyrate, MethylDL-2-Methylbutyrate, AC1L21KC, DSSTox_CID_31160, Nat.Methyl-2-Methylbutyrate, DSSTox_GSID_52587, KSC494K8T, Methyl .alpha.-methylbutyrate, SCHEMBL108113, Methyl .alpha.-methylbutanoate, Methyl 2-methylbutyrate, 99%, (+/-)-Methyl a-methylbutyrate, CHEMBL2287316, DTXSID1052587, CTK3J4589, FEMA 2719, a-Methylbutyric acid methyl ester, (+/-)-Methyl 2-methylbutanoate, 2-Methylbutyric acid-methyl ester, dl-methylbutyric acid methyl ester, Methyl (+/-)-2-methylbutanoate, 2-methylbutanoic acid methyl ester, 2-Methylbutyric acid, methyl ester, 2-Methylbutanoic acid, methyl ester, Tox21_303742, ANW-42002, LMFA07010934, AKOS009117977, alpha-methyl-butyric acid methyl ester, Butanoic acid,2-methyl-, methyl ester, FS-3839, Methyl ester of 2-methyl-butanoic acid, RTR-027041, VZ36288, KS-00000X09, NCGC00357048-01, AN-20552, CAS-868-57-5, DB-056956, TR-027041, Butyric acid, .alpha.-methyl-, methyl ester, FT-0628462, M0758, Methyl 2-methylbutyrate, >=98%, FCC, FG, Methyl 2-methylbutyrate, analytical standard, Butanoic acid, 2-methyl-, methyl ester, ( )-, Butanoic acid, 2-methyl-, methyl ester, (plusmn)-, Butanoic acid, 2-methyl-, methyl ester, (.+/-.)-, I14-19921, Methyl 2-methylbutyrate, natural, >=98%, FCC, FG, UNII-OLG4D4939V, methyl 2 - methylbutyrate, OLG4D4939V, (+/-)-methyl-2-methylbutyrate, CID13357, C6-H12-O2, WE(6:0), butanoic acid, 2-methyl-, methyl ester, (2R)-, Methyl 2-methylbutyrate, 98% - 100ML 100ml, Butanoic acid, 2-methyl-, methyl ester, (.+.)-, 53955-81-0,

Complexity	78.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.084g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	116.16g/mol
Monoisotopic Mass	116.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 3272

Certificate of Analysis

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