AG003LPS

7779-78-4 | 4-Methyl-1-phenyl-2-pentanol

AG003LPS

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CAS Number	7779-78-4
Catalog Number	AG003LPS(AGN-PC-0UCB0R)
Chemical Name	4-Methyl-1-phenyl-2-pentanol
EC Number	231-939-6
FEMA Number	2208
IUPAC Name	4-methyl-1-phenylpentan-2-ol
InChI	InChI=1S/C12H18O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
InChI Key	IUADYGVMSDKSMB-UHFFFAOYSA-N
MDL Number	MFCD00209515
Molecular Formula	C12H18O
Molecular Weight	178.2707
SMILES	CC(C)CC(O)CC1=CC=CC=C1
Synonyms	4-methyl-1-phenylpentan-2-ol, alpha-isobutylphenethyl alcohol, benzylisobutylcarbinol, COE 2031, COE-2031, FEMA 2208, FEMA-2208, 4-Methyl-1-phenyl-2-pentanol, 7779-78-4, 4-Methyl-1-phenylpentan-2-ol, Isobutyl benzyl carbinol, Benzylisoamyl alcohol, Isobutylbenzylcarbinol, 2-Methylpropyl benzyl carbinol, alpha-Isobutylphenethyl alcohol, iso-Butyl benzyl carbinol, alpha-(2-Methylpropyl)benzeneethanol, FEMA No. 2208, Benzeneethanol, .alpha.-(2-methylpropyl)-, Phenethyl alcohol, alpha-isobutyl-, EINECS 231-939-6, BRN 3243559, 4-methyl-1-phenyl-pentan-2-ol, 2-Pentanol, 4-methyl-1-phenyl, BENZENEETHANOL, ALPHA-(2-METHYLPROPYL)-, Benzylisobutylcarbinol, ACMC-209pbt, AC1L1XJ2, DSSTox_CID_27710, DSSTox_RID_82520, DSSTox_GSID_47717, 4-06-00-03421 (Beilstein Handbook Reference), SCHEMBL105502, AC1Q1P76, alpha-Isobutyl-Phenethyl alcohol, CHEMBL3187810, DTXSID8047717, CTK5E4955, FEMA 2208, IUADYGVMSDKSMB-UHFFFAOYSA-N, 4-Methyl-1-phenyl-2-pentanol #, Benzeneethanol,a-(2-methylpropyl)-, Tox21_302657, ANW-37095, Benzeneethanol, a-(2-methylpropyl)-, MFCD00209515, alpha-Isobutylphenethyl alcohol, 98%, alpha-(2-Methylpropyl)-Benzeneethanol, a-(2-Methylpropyl)benzeneethanol, 9CI, NCGC00256788-01, AK394206, AN-18201, LS-30311, CAS-7779-78-4, DB-003503, TC-125840, FT-0692535, M2012, A839198, UNII-2SBL0E1I0N, |A-Isobutylphenethyl alcohol, 2SBL0E1I0N, Benzeneethanol, ?-(2-methylpropyl)-, * 4-Methyl-1-phenylpentan-2-ol, CID62661, C12-H18-O, Phenethyl alcohol, .alpha.-isobutyl-, 4 - methyl - 1 - phenylpentan - 2 - ol,

Complexity	125
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	4
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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