AG00189X

13820-09-2 | Pentane, 1,1,1-trimethoxy-

AG00189X

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CAS Number	13820-09-2
Catalog Number	AG00189X(AGN-PC-0JLUR0)
Chemical Name	Pentane, 1,1,1-trimethoxy-
EC Number	237-496-5
IUPAC Name	1,1,1-trimethoxypentane
InChI	InChI=1S/C8H18O3/c1-5-6-7-8(9-2,10-3)11-4/h5-7H2,1-4H3
InChI Key	XUXVVQKJULMMKX-UHFFFAOYSA-N
MDL Number	MFCD00008481
Molecular Formula	C8H18O3
Molecular Weight	162.2267
SMILES	CCCCC(OC)(OC)OC
UNII	W0X9MOM6VZ
Synonyms	Trimethyl orthovalerate, 1,1,1-Trimethoxypentane, 13820-09-2, Pentane, 1,1,1-trimethoxy-, UNII-W0X9MOM6VZ, Trimethylorthovalerate, Orthovaleric acid, trimethyl ester, ortho-n-Valeric acid trimethyl ester, MFCD00008481, W0X9MOM6VZ, Orthovaleric Acid Trimethyl Ester, XUXVVQKJULMMKX-UHFFFAOYSA-N, J-503706, EINECS 237-496-5, trimethyl-2-valerate, trimethyl ortho-n-valerate, 1,1,1-trimethoxy-pentan, ACMC-209ch8, 1,1,1-trimethoxy-pentane, 1,1,1-Trimethoxy-n-pentan, 1,1,1-trimethoxy-n-pentane, KSC174S4N, SCHEMBL594044, Trimethyl orthovalerate, 97%, AC1L363R, AC1Q55W1, Jsp002296, DTXSID4065654, CTK0H4946, KS-00000Z8G, ZINC2567998, 4067AD, ANW-20442, SBB056487, AKOS015915499, RL01675, RTR-005053, TRA0042672, VZ36727, CJ-09829, AX8155440, DB-042417, TL8006138, TR-005053, FT-0636965, ST24036582, Trimethyl orthovalerate, purum, >=97.0% (GC), 820T092, C-04237, I14-5881, methyl orthovalerate, C8H18O3, Trimethyl orthovalerate, 98% 5g, KST-1B0404, CID83755, AR-1B3877, C8-H18-O3, ZINC02567998, T0981, Trimethyl orthovalerate, 98% - 100G 100g, 139677-09-1,

Complexity	81.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.126g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.229g/mol
Monoisotopic Mass	162.126g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	27.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3272

Certificate of Analysis

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