AG00DCWO

54680-48-7 | 5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)octanoic acid

AG00DCWO

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CAS Number	54680-48-7
Catalog Number	AG00DCWO(AGN-PC-0JNTEZ)
Chemical Name	5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)octanoic acid
IUPAC Name	2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid
InChI	InChI=1S/C18H36O2/c1-13(11-17(3,4)5)9-10-15(16(19)20)14(2)12-18(6,7)8/h13-15H,9-12H2,1-8H3,(H,19,20)
InChI Key	QBTIHZIVENIGSW-UHFFFAOYSA-N
MDL Number	MFCD00135620
Molecular Formula	C18H36O2
Molecular Weight	284.4772
NSC Number	83185
SMILES	C(C(CC(C)(C)C)C)(C(=O)O)CCC(CC(C)(C)C)C
Synonyms	54680-48-7, 2,2,4,8,10,10-Hexamethylundecane-5-carboxylic Acid, 2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid, Isostearic Acid (=2,2,4,8,10,10-Hexamethylundecane-5-carboxylic Acid), NSC83185, AC1Q5RYP, AC1L5UG6, NCIOpen2_005205, SCHEMBL96140, CTK3J2202, DTXSID60292489, KS-000012ZG, ANW-41613, MFCD00135620, NSC-83185, AKOS015893952, RT-000376, I0184, KS-00001038, I04-8773, 2-(4,4-Dimethyl-2-pentyl)-5,7,7-trimethyl-n-octanoic Acid, IsostearicAcid(=2,2,4,8,10,10-Hexamethylundecane-5-carboxylicAcid), ISOSTEARIC ACID, AR-1C7463, CID256370, 30399-84-9, 54948-27-5,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.272g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	284.484g/mol
Monoisotopic Mass	284.272g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	6.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H320
Packing Group	\N
Precautionary statements	P264-P305+P351+P338+P337+P313
UN Code	\N

Certificate of Analysis

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