AG003PMK

106-79-6 | Dimethyl decanedioate

AG003PMK

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CAS Number	106-79-6
Catalog Number	AG003PMK(AGN-PC-0JK89Z)
Chemical Name	Dimethyl decanedioate
EC Number	203-431-4
IUPAC Name	dimethyl decanedioate
InChI	InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
InChI Key	ALOUNLDAKADEEB-UHFFFAOYSA-N
MDL Number	MFCD00008472
Molecular Formula	C12H22O4
Molecular Weight	230.3007
NSC Number	9415
SMILES	O=C(OC)CCCCCCCCC(OC)=O
UNII	G87745M355
Synonyms	sebacic acid dimethyl ester, DIMETHYL SEBACATE, Dimethyl decanedioate, 106-79-6, Methyl sebacate, Decanedioic acid, dimethyl ester, Sebacic acid dimethyl ester, Sebacic acid, dimethyl ester, Dimethyl octane-1,8-dicarboxylate, UNII-G87745M355, NSC 9415, EINECS 203-431-4, MFCD00008472, AI3-00662, Decanedioic Acid Dimethyl Ester, ALOUNLDAKADEEB-UHFFFAOYSA-N, Decanedioic acid, 1,10-dimethyl ester, G87745M355, dimethyl decane-1,10-dioate, Dimethyl sebacate, 99%, DSSTox_CID_6740, ACMC-2098mb, EC 203-431-4, AC1L1PN9, AC1Q5ZZ4, 1,10-dimethyl decanedioate, Dimethyl sebacate, >=95%, DSSTox_RID_78206, DSSTox_GSID_26740, SCHEMBL35275, KSC174O5R, CHEMBL3186083, DTXSID1026740, CTK0H4758, KS-00000YSZ, NSC9415, ACN-S002413, BB_SC-00429, NSC-9415, ZINC1699974, Tox21_200178, ANW-15441, BBL009825, SBB060773, Sebacic acid, dimethyl ester (8CI), STK018255, Dimethyl sebacate, analytical standard, AKOS005378294, MCULE-8633671524, RL00291, RTR-001350, TRA0077474, NCGC00248552-01, NCGC00257732-01, AN-22447, CAS-106-79-6, CC-26989, CJ-06668, CJ-28662, I811, AUO notEa paragraph signthorn(1/4)xo yen, 1,8-Octanedicarboxylic Acid Dimethyl Ester, LS-178727, TR-001350, FT-0653197, S0027, ST50307409, 1,8-Octanedicarboxylic acid, bis-methyl ester, AE currencyO notEa paragraph signthorn(1/4)xo yen, C-34415, I14-5854, J-001650, dimethylsebacat-, C12H22O4, CID7829, AR-1I5708, C12-H22-O4, Dimethyl sebacate, 94% - 100G 100g, 1080-62-2, DMS,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.152g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.304g/mol
Monoisotopic Mass	230.152g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H318-H412
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

Lot Number