AG00HX2X

1445-91-6 | Benzenemethanol, a-methyl-, (aS)-

AG00HX2X

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CAS Number	1445-91-6
Catalog Number	AG00HX2X(AGN-PC-0PVU2E)
Chemical Name	Benzenemethanol, a-methyl-, (aS)-
IUPAC Name	(1S)-1-phenylethanol
InChI	InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
InChI Key	WAPNOHKVXSQRPX-ZETCQYMHSA-N
MDL Number	MFCD00064264
Molecular Formula	C8H10O
Molecular Weight	122.1644
SMILES	C[C@H](O)C1=CC=CC=C1
UNII	2MIC4QLY2X
Synonyms	(S)-1-Phenylethanol, 1445-91-6, (S)-(-)-1-Phenylethanol, (1S)-1-phenylethanol, (1S)-1-Phenylethan-1-Ol, UNII-2MIC4QLY2X, (S)-(-)-phenylethanol, 2MIC4QLY2X, (S)-1-Phenethyl alcohol, (s)-1-phenyl-1-ethanol, (S)-1-phenylethan-1-ol, (-)-Methyl phenyl carbinol, (S)-alpha-methylbenzenemethanol, (1S)-1-PHENYL-ETHANOL, CHEBI:16346, WAPNOHKVXSQRPX-ZETCQYMHSA-N, (S)-(-)-1-Phenylethyl Alcohol, (S)-(-)-alpha-Methylbenzyl alcohol, MFCD00064264, [S]-1-phenylethanol, 1-Phenylethanol #, 1-Phenylethanol, (S)-, (S)-(-)-sec-Phenethyl alcohol, 99%, Benzenemethanol, .alpha.-methyl-, (S)-, SS1, (S)-1-Phenylethyl alcohol, (S)-(-)-Sec-Phenylethyl alcohol, (S)-(-)-sec-Phenethyl Alcohol, Benzenemethanol, .alpha.-methyl-, (.alpha.S)-, (S)-phenylethanol, Benzenemethanol, alpha-methyl-, (S)-, PubChem6858, (s)-1-phenyl-ethanol, AC1L9E2Z, AC1Q29NM, AC1Q29NN, SCHEMBL7144, 1-phenyl-(1S)-ethan-1-ol, CHEMBL348446, DTXSID4073259, CTK3J5699, ZINC896625, (S)-(-)-|A-Methylbenzyl alcohol, (AlphaS)-alpha-methylbenzenemethanol, Benzenemethanol, a-methyl-, (aS)-, ANW-20871, (S)-(-)-1-Phenylethanol, 97%, AKOS016842975, AM84405, KS-0000057D, AJ-24238, AS-13396, BP-10717, CJ-04493, I072, ZB015097, Benzenemethanol, alpha-methyl-, (alphaS)-, DB-009378, RT-002649, ST2414548, CS-0007824, FT-0605197, P0796, EN300-87752, C11348, 445P916, A808240, I01-4537, J-007970, J-501784, (S)-(-)-1-Phenylethanol, >=98.5% (sum of enantiomers, GC), (S)-(-)-1-Phenylethanol, for chiral derivatization, >=99.0%, (S)-(-)-1-Phenylethanol, ChiPros(R), produced by BASF, 98%, 1-Phenylethanol, Methylphenyl carbinol, 1-PHENYL-ETHANOL, (s)-(+)-1-phenylethanol, C8H10O, (1R)-1-phenylethane-1,2-diol, C8-H10-O, CID443135, CB11195, (S)-(-)-1-Phenylethanol, 99%, for chiral derivatization - 1g 1g, 1019018-46-2, FEH,

Complexity	74.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	122.073g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	122.167g/mol
Monoisotopic Mass	122.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H311-H315-H318
Packing Group	Ⅲ
Precautionary statements	P501-P264-P280-P361+P364-P332+P313-P302+P352+P312-P305+P351+P338+P310-P405
UN Code	UN 2810

Certificate of Analysis

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