CAS No.1445-91-6,(S)-(-)-1-PHENYLETHANOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1445-91-6
Name:	(S)-(-)-1-PHENYLETHANOL
Article Data:	950

Formula:	C₈H₁₀O
Molecular Weight:	122.167
Synonyms:	Benzenemethanol,α-methyl-, (S)-;Benzyl alcohol, α-methyl-, (S)-(-)- (8CI);Benzylalcohol, α-methyl-, l- (6CI);(-)-(S)-1-Phenylethanol;(-)-1-Phenyl-1-ethanol;(-)-1-Phenylethanol;(-)-1-Phenylethyl alcohol;(-)-sec-Phenethyl alcohol;(-)-α-Phenethyl alcohol;(1S)-1-Phenylethanol;(S)-(-)-1-Phenylethyl alcohol;(S)-(-)-Methylphenylcarbinol;(S)-(-)-α-Methylbenzyl alcohol;(S)-(-)-α-Phenethyl alcohol;(S)-(-)-α-Phenylethanol;(S)-1-Phenylethanol;(S)-1-Phenylethylalcohol;(S)-Phenylmethylcarbinol;(S)-sec-Phenethylalcohol;(S)-α-Methylbenzenemethanol;(S)-α-Methylbenzyl alcohol;(αS)-a-Methylbenzenemethanol;L-(-)-α-Phenylethanol;S-(-)-1-Phenyl-1-ethanol;
EINECS:	202-707-1
Density:	1.014 g/cm³
Melting Point:	9-11 °C(lit.)
Boiling Point:	206.917 °C at 760 mmHg
Flash Point:	91.171 °C
Solubility:	soluble in water, ethanol, glycerol
Appearance:	Colorless to light yellow liquid
Hazard Symbols:	Xn
Risk Codes:	22-41-36/37/38
Safety:	26-37/39
Transport Information:	UN 2937 6.1/PG 3
PSA:	20.23000
LogP:	1.73990

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Specification

The (S)-(-)-sec-Phenethyl alcohol, with the CAS registry number 1445-91-6, is also known as (S)-(-)-Methylphenylcarbinol. It belongs to the product categories of Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds; Building Blocks for Liquid Crystals; Chiral Building Blocks; Chiral Compounds (Building Blocks for Liquid Crystals); Functional Materials; Simple Alcohols (Chiral); Synthetic Organic Chemistry; Alcohols; Chiral Building Blocks; Organic Building Blocks. Its EINECS number is 240-115-5. This chemical's molecular formula is C₈H₁₀O and molecular weight is 122.16. What's more, its systematic name is (1S)-1-Phenylethanol. This chemical is used as chiral reagent.

Physical properties of (S)-(-)-sec-Phenethyl alcohol are: (1)ACD/LogP: 1.382; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 6.61; (6)ACD/BCF (pH 7.4): 6.61; (7)ACD/KOC (pH 5.5): 134.52; (8)ACD/KOC (pH 7.4): 134.52; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 37.34 cm³; (15)Molar Volume: 120.505 cm³; (16)Polarizability: 14.803×10^-24cm³; (17)Surface Tension: 38.0 dyne/cm; (18)Density: 1.014 g/cm³; (19)Flash Point: 91.171 °C; (20)Enthalpy of Vaporization: 46.849 kJ/mol; (21)Boiling Point: 206.917 °C at 760 mmHg; (22)Vapour Pressure: 0.1 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-phenyl-ethanone at the temperature of 0 - 5 °C. This reaction will need reagents chiral amino alcohol from a-pinene, B(OMe)₃, BH₃·Me₂S and solvent tetrahydrofuran with the reaction time of 0.5 hour. The yield is about 93%.

(S)-(-)-sec-Phenethyl alcohol can be prepared by 1-phenyl-ethanone at the temperature of 0 - 5 °C

Uses of (S)-(-)-sec-Phenethyl alcohol: it can be used to produce (S)-1-acetoxy-1-phenyl-ethane at the temperature of 0 °C. It will need reagent TMSOTf and solvent CH₂Cl₂ with the reaction time of 5 min. The yield is about 95%.

(S)-(-)-sec-Phenethyl alcohol can be used to produce (S)-1-acetoxy-1-phenyl-ethane at the temperature of 0 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It has a risk of serious damage to eyes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](c1ccccc1)C
(2)Std. InChI: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
(3)Std. InChIKey: WAPNOHKVXSQRPX-ZETCQYMHSA-N