AG003F89

6846-50-0 | 2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)

AG003F89

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CAS Number	6846-50-0
Catalog Number	AG003F89(AGN-PC-0TSNOO)
Chemical Name	2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)
EC Number	229-934-9
IUPAC Name	[2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
InChI	InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3
InChI Key	OMVSWZDEEGIJJI-UHFFFAOYSA-N
MDL Number	MFCD00059267
Molecular Formula	C16H30O4
Molecular Weight	286.4070
SMILES	CC(C)C(OC(C(C)C)=O)C(C)(C)COC(C(C)C)=O
Synonyms	2,2,4-trimethyl-1,3-pentanediol diisobutyrate, Kodaflex TXIB, 6846-50-0, 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, 2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate), Kodaflex txib, TXIB, Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester, 2,2,4-Trimethylpentanediol-1,3-diisobutyrate, EINECS 229-934-9, BRN 1878083, Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester, CHEBI:89871, 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate, 2,2,4-Trimethyl-1,3-pentanediol ester, AK116054, DSSTox_CID_7635, 2,2,4-Trimethyl-1,3-pentadienol diisobutyrate, DSSTox_RID_78535, DSSTox_GSID_27635, W-104669, 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate (ester), [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate, Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester, CAS-6846-50-0, 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, 98%, HSDB 8097, Propanoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester, EC 229-934-9, AC1L2M0V, SCHEMBL43993, CHEMBL3183335, DTXSID1027635, KS-00000MIJ, OMVSWZDEEGIJJI-UHFFFAOYSA-N, Tox21_202454, Tox21_300316, 0569AC, MFCD00059267, AKOS015900127, trimethyl-1,3-pentanediol diisobutyrate, NCGC00164194-01, NCGC00164194-02, NCGC00164194-03, NCGC00254147-01, NCGC00260003-01, LS-101673, ST2415580, FT-0609109, 2,2,4-trimethyl-1,3,-pentanedioldiisobutyrate, 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate, I14-10606, I14-19497, 2,2,4-Trimethyl-1,3-pentandiyl-bis(2-methylpropanoat), 2,2,4-TRIMETHYLPENTANE-1,3-DIOL DIISOBUTYRATE, 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, >=98.5%, 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, analytical standard, 3-(Isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate #, Texanol Isobutyrate, UNII-4KZA479DWQ, 4KZA479DWQ, C16H30O4, CID23284, C16-H30-O4, T0997, C001508, 2,2,4-TRIMETHYL-1,3-PENTANEDIOLDIISOBUTYRATE, 2,2,4-Trimethylpentane-1,3-diylbis(2-methylpropanoate), TXIB (2,2,4-Trimethyl-1,3-pentanedioldiisobutylacrylate), 2-Methylpropanoic acid 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.214g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	286.412g/mol
Monoisotopic Mass	286.214g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number