AG003LLC

3228-02-2 | 4-Isopropyl-3-methylphenol

AG003LLC

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CAS Number	3228-02-2
Catalog Number	AG003LLC(AGN-PC-0JKE6V)
Chemical Name	4-Isopropyl-3-methylphenol
EC Number	221-761-7
IUPAC Name	3-methyl-4-propan-2-ylphenol
InChI	InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
InChI Key	IJALWSVNUBBQRA-UHFFFAOYSA-N
MDL Number	MFCD00010704
Molecular Formula	C10H14O
Molecular Weight	150.2176
NSC Number	62111
SMILES	OC1=CC=C(C(C)C)C(C)=C1
UNII	H41B6Q1I9L
Synonyms	o-cymen-5-ol, 4-Isopropyl-3-methylphenol, 3228-02-2, 3-Methyl-4-isopropylphenol, 4-Isopropyl-m-cresol, Biosol, o-CYMEN-5-OL, p-Thymol, o-Cymen-5y-ol, Phenol, 3-methyl-4-(1-methylethyl)-, 4-Isopropyl-5-methylphenol, 3-methyl-4-propan-2-ylphenol, Frecide, 1-Hydroxy-3-methyl-4-isopropylbenzene, Biosal (antibacterial), 3-methyl-4-(propan-2-yl)phenol, UNII-H41B6Q1I9L, 4-isopropyl-3-methyl-phenol, H41B6Q1I9L, IJALWSVNUBBQRA-UHFFFAOYSA-N, 3-Methyl-4-(1-methylethyl)phenol, EINECS 221-761-7, NSC 62111, BRN 1364028, AC1L2CEI, ACMC-2097cz, AC1Q1OB5, 4-iso-Propyl-3-methylphenol, KSC568I4P, BIDD:ER0450, SCHEMBL133674, 3-methyl-4-propan-2-yl-phenol, CHEBI:34429, CTK4G8447, IJALWSVNUBBQRA-UHFFFAOYSA-, DTXSID10186026, 3-Methyl-4-isopropylphenol, 99%, 4-Isopropyl-3-methylphenol, 99%, NSC62111, ZINC1691011, ANW-13809, MFCD00010704, NSC-62111, AKOS000119826, Phenol,3-methyl-4-(1-methylethyl)-, AC-9076, AN-7397, DS-6343, LS10720, MCULE-4704520165, NE10688, VZ35489, AJ-30090, AK113729, BP-12478, CJ-06487, CJ-28154, LS-58946, SC-47389, DB-048192, TL8002453, TX-011924, FT-0618824, M0409, ST24043821, V1269, C14741, Phenol, 3-methyl-4-(1-methylethyl)- (9CI), 4-06-00-03325 (Beilstein Handbook Reference), A821219, I01-5768, W-106848, F0001-0962, Z1262246127, InChI=1/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3, C10H14O, CID18597, 4-Isopropyl-3-methylphenol, 99% - 100G 100g,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.104g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	150.221g/mol
Monoisotopic Mass	150.104g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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