(S)-(-)-1-Phenylethanol Structure

(S)-(-)-1-Phenylethanol

Chemical Properties

Melting point 9-11 °C(lit.)
Boiling point 88-89 °C10 mm Hg(lit.)
alpha  -42.5 º (neat)
Density  1.012 g/mL at 20 °C(lit.)
refractive index  n20/D 1.528
Flash point 85 °C
storage temp.  2-8°C
solubility  20g/l
form  Liquid
pka 14.43±0.20(Predicted)
Specific Gravity 1.018
color  Clear colorless
Odor at 100.00 %. hyacinth gardenia strawberry
Odor Type floral
optical activity [α]22/D -44.0°, neat
Water Solubility  20 g/L (20 ºC)
BRN  2039797
InChI 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
InChIKey WAPNOHKVXSQRPX-ZETCQYMHSA-N
SMILES C[C@H](O)c1ccccc1
LogP 1.382 (est)
CAS DataBase Reference 1445-91-6(CAS DataBase Reference)
FDA UNII 2MIC4QLY2X
NIST Chemistry Reference Benzenemethanol, «alpha»-methyl-, (S)-(1445-91-6)
EPA Substance Registry System Benzenemethanol, .alpha.-methyl-, (.alpha.S)- (1445-91-6)
UNSPSC Code 12352002
NACRES NA.22
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319
Precautionary statements P301+P312+P330-P302+P352-P305+P351+P338
Hazard Codes  Xn
Risk Statements  22-38-41-36/37/38
Safety Statements  26-39-37/39
RIDADR  UN 2937 6.1/PG 3
WGK Germany  3
RTECS  DO9275000
HazardClass  6.1
PackingGroup  III
HS Code  29062990
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
NFPA 704:
2
2 0

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