AG005UYN

74663-48-2 | 2-Isopropyl-6-propylphenol

AG005UYN

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CAS Number	74663-48-2
Catalog Number	AG005UYN(AGN-PC-0KOKYE)
Chemical Name	2-Isopropyl-6-propylphenol
IUPAC Name	2-propan-2-yl-6-propylphenol
InChI	InChI=1S/C12H18O/c1-4-6-10-7-5-8-11(9(2)3)12(10)13/h5,7-9,13H,4,6H2,1-3H3
InChI Key	JNTNBZKUWHRIGW-UHFFFAOYSA-N
MDL Number	MFCD01707302
Molecular Formula	C12H18O
Molecular Weight	178.2707
SMILES	OC1=C(CCC)C=CC=C1C(C)C
UNII	35A3U7I116
Synonyms	2-Isopropyl-6-propylphenol, 74663-48-2, Propofol Impurity O, BRN 4383251, Phenol, 2-isopropyl-6-propyl-, UNII-35A3U7I116, 2-propan-2-yl-6-propylphenol, 2-(1-Methylethyl)-6-propylphenol, 2-Isopropyl-6-propylphenol (Propofol Impurity O), Phenol,2-(1-methylethyl)-6-propyl-, 35A3U7I116, AC1MHUYC, 2-Isopropyl-6-n-propylphenol, CHEMBL29991, SCHEMBL7066182, CTK5E0245, DTXSID30225643, 2-(propan-2-yl)-6-propylphenol, 1603AC, ANW-53332, ZINC22061642, AKOS015999519, VZ24818, AJ-80894, LS-104765, TC-142077, FT-0670541, ST24022285, PHENOL, 2-(1-METHYLETHYL)-6-PROPYL-, C12H18O, C12-H18-O, CID3058154,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.136g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.275g/mol
Monoisotopic Mass	178.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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