(S)-(+)-1-phenylpropan-2-ol - CAS 1517-68-6

Catalog:	BB050252
Product Name:	(S)-(+)-1-phenylpropan-2-ol
CAS:	1517-68-6
Synonyms:	(S)-1-Phenyl-2-propanol; (S)-1-Phenylpropan-2-ol; (S)-(+)-1-Phenyl-2-propanol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(2S)-1-phenylpropan-2-ol
Description:	(S)-(+)-1-phenylpropan-2-ol (CAS# 1517-68-6 ) is a useful research chemical.
Molecular Weight:	136.19
Molecular Formula:	C9H12O
Canonical SMILES:	CC(CC1=CC=CC=C1)O
InChI:	InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1
InChI Key:	WYTRYIUQUDTGSX-QMMMGPOBSA-N
Boiling Point:	220 °C at 760 mmHg
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	0.996 g/cm³
Appearance:	Colorless liquid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	84.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	136.088815002
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	136.088815002
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2