CAS No.10606-72-1,ETHYL (R)-(-)-MANDELATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10606-72-1
Name:	ETHYL (R)-(-)-MANDELATE
Article Data:	113

Formula:	C₁₀H₁₂O₃
Molecular Weight:	180.203
Synonyms:	(R)-α-Hydroxybenzeneacetic acid ethyl ester;(αR)-α-Hydroxybenzeneacetic acid ethyl ester;D-(-)-Ethylmandelate;D-(-)-Mandelic acid ethyl ester;Ethyl (R)-mandelate;Ethyl (R)-α-hydroxybenzeneacetate;Benzeneaceticacid, α-hydroxy-, ethyl ester, (R)-;Mandelic acid, ethyl ester, (R)- (8CI);(-)-Ethyl mandelate;(-)-Mandelic acidethyl ester;(-)-α-Hydroxybenzeneaceticacid ethyl ester;(R)-(-)-Ethyl mandelate;(R)-(-)-Mandelic acid ethyl ester;(R)-Ethyl (hydroxy)(phenyl)acetate;
EINECS:	212-263-0
Density:	1.148 g/cm³
Melting Point:	33-34 °C(lit.)
Boiling Point:	253.999 °C at 760 mmHg
Flash Point:	118.069 °C
Appearance:	liquid
PSA:	46.53000
LogP:	1.28310

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Specification

The Benzeneacetic acid, α-hydroxy-, ethyl ester, (αR)-, with the CAS registry number 10606-72-1, is also known as (R)-(-)-Ethyl mandelate. It belongs to the product categories of Chiral Building Blocks; Esters (Chiral); Synthetic Organic Chemistry; Chiral Building Blocks; Esters; Organic Building Blocks. This chemical's molecular formula is C₁₀H₁₂O₃and formula weight is 180.20. What's more, its IUPAC name is ethyl (2R)-2-hydroxy-2-phenylacetate.

Physical properties of Benzeneacetic acid, α-hydroxy-, ethyl ester, (αR)- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.528; (8)Molar Refractivity: 48.38 cm³; (9)Molar Volume: 157 cm³; (10)Surface Tension: 43.6 dyne/cm; (11)Density: 1.147 g/cm³; (12)Flash Point: 118.1 °C; (13)Enthalpy of Vaporization: 51.92 kJ/mol; (14)Boiling Point: 254 °C at 760 mmHg; (15)Vapour Pressure: 0.00918 mmHg at 25°.

Preparation: this chemical can be prepared by (R)-hydroxy-phenyl-acetic acid, ethanol by heating. This reaction will need reagent BF₃·Et₂O with the reaction time of 1 hour. It's a reaction of esterification. The yield is about 98%.

Uses of Benzeneacetic acid, α-hydroxy-, ethyl ester, (αR)-: it can be used to produce dimethylthiocarbamoylsulfanyl-phenyl-acetic acid ethyl ester at the ambient temperature. It will need reagent diethyl azodicarboxylate, triphenylphosphine and solvent toluene with the reaction time of 24 hours. The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(C1=CC=CC=C1)O
(2)Isomeric SMILES: CCOC(=O)[C@@H](C1=CC=CC=C1)O
(3)InChI: InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/m1/s1
(4)InChIKey: SAXHIDRUJXPDOD-SECBINFHSA-N