AG003HNC

103-05-9 | 2-Methyl-4-Phenyl-2-Butanol

AG003HNC

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CAS Number	103-05-9
Catalog Number	AG003HNC(AGN-PC-0OS3AZ)
Chemical Name	2-Methyl-4-Phenyl-2-Butanol
EC Number	203-074-4
FEMA Number	3629
IUPAC Name	2-methyl-4-phenylbutan-2-ol
InChI	InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChI Key	YXVSKJDFNJFXAJ-UHFFFAOYSA-N
MDL Number	MFCD00004472
Molecular Formula	C11H16O
Molecular Weight	164.2441
NSC Number	62145
SMILES	C(CC(C)(C)O)c1ccccc1
UNII	9Y5UX90TZ4
Synonyms	2-methyl-4-phenyl-2-butanol, 2-Methyl-4-phenyl-2-butanol, 2-Methyl-4-phenylbutan-2-ol, 103-05-9, Dimethylphenylethylcarbinol, Benzyl-tert-butanol, Benzyl-t-butanol, Dimethylphenethylcarbinol, Dimethyl phenylethyl carbinol, Phenylethyl dimethyl carbinol, 1,1-Dimethyl-3-phenylpropanol, 2-Phenethyl-2-propanol, 1,1-Dimethyl-3-phenyl-1-propanol, 2-(2-Phenylethyl)-2-propanol, Phenethyl dimethyl carbinol, Dimethylphenylethyl carbinol, 2-BUTANOL, 2-METHYL-4-PHENYL-, 1,1-Dimethyl-3-phenylpropyl alcohol, alpha,alpha-Dimethylbenzenepropanol, Benzenepropanol, .alpha.,.alpha.-dimethyl-, UNII-9Y5UX90TZ4, NSC 62145, FEMA No. 3629, alpha,alpha-Dimethyl-gamma-phenylpropyl alcohol, EINECS 203-074-4, Benzenepropanol, alpha,alpha-dimethyl-, 1-Propanol, 1,1-dimethyl-3-phenyl-, BRN 2076770, AI3-24192, 9Y5UX90TZ4, 2-methyl-4-phenyl-butan-2-ol, YXVSKJDFNJFXAJ-UHFFFAOYSA-N, 1-Propanol, 1,1-dimethyl-3-phenyl- (8CI), muguet carbinol, AC1Q1NOI, phenylethyldimethylcarbinol, DSSTox_CID_1851, AC1L1P7D, 2-Phenylethyldimethylcarbinol, ACMC-1C0T5, DSSTox_RID_76365, DSSTox_GSID_21851, imethyl phenyl ethyl carbinol, SCHEMBL272368, 1-Phenyl-3-methylbutan-3-ol, Benzenepropanol, a,a-dimethyl-, CHEMBL3182328, Dimethyl-beta-phenylethylcarbinol, DTXSID3021851, CTK4A1709, FEMA 3629, YXVSKJDFNJFXAJ-UHFFFAOYSA-, 4-cyclohexyl-2-methylbutan-2-ol, a,a-Dimethylbenzenepropanol, 9CI, 1-Propanol,1-dimethyl-3-phenyl-, alpha,alpha-Dimethyl-Benzenepropanol, NSC62145, ZINC1691037, Tox21_302631, ANW-14795, BBL018826, MFCD00004472, NSC-62145, STL195387, 1, 1-Dimethyl-3-phenyl-1-propanol, 3-METHYL-1-PHENYL-3-BUTANOL, AKOS009157138, WLN: QX1 & 1 & 2R, LS-2955, MCULE-7291109100, .alpha.,.alpha.-Dimethylbenzenepropanol, Benzenepropanol, alpha, alpha-dimethyl-, alpha,alpha-Dimethylbenzenepropanol, 97%, NCGC00256823-01, AN-24620, CAS-103-05-9, CJ-28168, R410, alpha,alpha-dimethyl-alpha,alpha-dimethyl-, TC-103540, FT-0712044, M0398, T7273, EN300-66318, W-109381, .alpha.,.alpha.-Dimethyl-.delta.-phenylpropyl alcohol, .alpha.,.alpha.-Dimethyl-.gamma.-phenylpropyl alcohol, I14-52017, Z1259339737, InChI=1/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3, Benzenepropanol, ?,?-dimethyl-, |A,|A-Dimethylbenzenepropanol, C11H16O, CID7632, Benzenepropanol,.alpha.-dimethyl-, C11-H16-O, 2 - methyl - 4 - phenylbutan - 2 - ol, 4-06-00-03380 (Beilstein Handbook Reference), 3280-08-8,

Complexity	123
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.12g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.248g/mol
Monoisotopic Mass	164.12g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

Lot Number