CAS No.13704-09-1,L-(+)-MANDELIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13704-09-1
Name:	L-(+)-MANDELIC ACID ETHYL ESTER
Article Data:	99

Formula:	C₁₀H₁₂O₃
Molecular Weight:	180.203
Synonyms:	Mandelic acid, ethyl ester, L-(+)- (8CI);(+)-Ethyl mandelate;Benzeneaceticacid, a-hydroxy-, ethyl ester, (S)-;(+)-Mandelicacid ethyl ester;(+)-a-Hydroxybenzeneacetic acid ethyl ester;(S)-2-Phenyl-2-hydroxyacetic acidethyl ester;(S)-a-Hydroxybenzeneaceticacid, ethyl ester;Ethyl (S)-(+)-mandelate;Ethyl (S)-mandelate;Ethyl (S)-a-hydroxybenzeneacetate;EthylL-mandelate;L-(+)-Mandelic acid ethyl ester;
Density:	1.147 g/cm³
Melting Point:	32-34 °C
Boiling Point:	254 °C at 760 mmHg
Flash Point:	118.1 °C
PSA:	46.53000
LogP:	1.28310

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Specification

The l-(+)-Mandelic acid ethyl ester, with the CAS registry number 13704-09-1, is also known as Benzeneacetic acid, α-hydroxy-, ethyl ester. It belongs to the product categories of Building Blocks; Esters (Chiral); Synthetic Organic Chemistry; Chiral Building Blocks; Esters; Organic Building Blocks. This chemical's molecular formula is C₁₀H₁₂O₃ and molecular weight is 180.2. What's more, its systematic name is called Ethyl hydroxy(phenyl)acetate.

Physical properties about l-(+)-Mandelic acid ethyl ester are: (1) ACD/LogP: 1.43; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.43; (4) ACD/LogD (pH 7.4): 1.43; (5) ACD/BCF (pH 5.5): 7.22; (6) ACD/BCF (pH 7.4): 7.22; (7) ACD/KOC (pH 5.5): 143.22; (8) ACD/KOC (pH 7.4): 143.21; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 35.53 Å²; (13) Index of Refraction: 1.528; (14) Molar Refractivity: 48.38 cm³; (15) Molar Volume: 157 cm³; (16) Surface Tension: 43.6 dyne/cm; (17) Density: 1.147 g/cm³; (18) Flash Point: 118.1 °C; (19) Enthalpy of Vaporization: 51.92 kJ/mol; (20) Boiling Point: 254 °C at 760 mmHg; (21) Vapour Pressure: 0.00918 mmHg at 25 °C; (22) Melting Point: 32-34 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C(O)c1ccccc1
(2) InChI: InChI=1/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3
(3) InChIKey: SAXHIDRUJXPDOD-UHFFFAOYAS