Basic information
- Name:
Benzeneacetic acid, a-(acetyloxy)-, (aS)-
- Superlist Name:
- (S)-(+)-O-Acetyl-L-mandelic acid
- CAS No.:
7322-88-5
- Molecular Structure:
- Formula:
- C10H10O4
- Molecular Weight:
- 194.18
- Density:
- 1.259 g/cm3
- Melting Point:
- 98-101 °C
- Boiling Point:
- 317.8 °C at 760 mmHg
- Flash Point:
- 125 °C
- Appearance:
- white to light yellow crystal powder
- Safety Description:
- 22-24/25 Details
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Chemistry
Systematic Name: (2S)-(Acetyloxy)(phenyl)ethanoic acid
Synonyms of (S)-(+)-O-Acetyl-L-mandelic acid (CAS NO.7322-88-5): (S)-(+)-O-Acetylmandelic acid ; (S)-(+)-Alpha-acetoxyphenylacetic acid ; (S)-Alpha-acetoxyphenylacetic acid ; (+)-O-Acetyl-l-mandelic acid ; O-Acetyl mandelic acid ; A-(Acetyloxy)benzeneacetic acid ; (S)-A-Acetoxyphenylacetic acid
CAS NO: 7322-88-5
Molecular Formula: C10H10O4
Molecular Weight: 194.18
Molecular Structure: 
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.54
Molar Refractivity: 48.41 cm3
Molar Volume: 154.1 cm3
Surface Tension: 49.4 dyne/cm
Density: 1.259 g/cm3
Flash Point: 125 °C
Enthalpy of Vaporization: 59.04 kJ/mol
Boiling Point: 317.8 °C at 760 mmHg
Vapour Pressure: 0.000157 mmHg at 25°C
Melting Point: 98-101 °C
Alpha:153 º (c=2 in acetone)
Appearance: white to light yellow crystal powder
SMILES: O=C(O)[C@@H](OC(=O)C)c1ccccc1 Copy
InChI: InChI=1/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1 Copy
InChIKey: OBCUSTCTKLTMBX-VIFPVBQEBW
Std. InChI: InChI=1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1 Copy
Std. InChIKey: OBCUSTCTKLTMBX-VIFPVBQESA-N
Product Categories of(S)-(+)-O-Acetyl-L-mandelic acid (CAS NO.7322-88-5): chiral;for Resolution of Alcohols & Thiols;for Resolution of Bases;Optical Resolution;Synthetic Organic Chemistry;Chiral Compound
Safety Profile
Safety Statements: 22-24/25
S22: Do not breathe dust.
S24/25: When (S)-(+)-O-Acetyl-L-mandelic acid (CAS NO.7322-88-5) is used,avoid contact with skin and eyes.
WGK Germany: 3
