(S)-1-phenyl-1-ethanol - CAS 1445-91-6

Catalog:	BB050200
Product Name:	(S)-1-phenyl-1-ethanol
CAS:	1445-91-6
Synonyms:	(S)-1-Phenylethanol; (S)-(-)-1-Phenylethanol; (1S)-1-Phenylethan-1-ol; (S)-(−)-sec-Phenylethyl alcohol; (−)-Methyl phenyl carbinol; (S)-(−)-α-Methylbenzyl alcohol
Application:	(S)-(−)-1-Phenylethanol is a reagent used for the synthesis of optically active compounds

Technical Data

IUPAC Name:	(1S)-1-phenylethanol
Description:	(S)-1-phenyl-1-ethanol (CAS# 1445-91-6) is a reagent used for the synthesis of optically active compounds.
Molecular Weight:	122.16
Molecular Formula:	C8H10O
Canonical SMILES:	CC(C1=CC=CC=C1)O
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
Boiling Point:	206.9±8.0 °C at 760 mmHg
Melting Point:	9-11 °C
Flash Point:	85 °C(185 °F)
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	1.0±0.1 g/cm³
Solubility:	Soluble in water at 20°C 20g/L. Soluble in alcohol.
Appearance:	Clear light yellow liquid
Storage:	Room temperature.
MDL:	MFCD00064264
Refractive Index:	1.53

Complexity:	74.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	122.073164938
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.073164938
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4