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Substance Name: Atrolactic acid
RN: 515-30-0
UNII: 3709C1T8IF
InChIKey: NWCHELUCVWSRRS-UHFFFAOYSA-N

Note

  • See also 3-isomer.

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Name of Substance

  • Atrolactic acid

Synonyms

  • 2-Hydroxy-2-phenylpropionic acid
  • 2-Phenyl-2-hydroxypropionic acid
  • alpha-Hydroxy-alpha-phenylpropionic acid
  • Atrolactic acid
  • DL-alpha-Phenyllactic acid
  • EINECS 208-196-1
  • EINECS 225-014-6
  • NSC 128998
  • NSC 401846
  • UNII-3709C1T8IF

Systematic Names

  • (1)-2-Phenyllactic acid
  • 2-Phenyllactic acid
  • alpha-Methylmandelic acid
  • Benzeneacetic acid, alpha-hydroxy-alpha-methyl-
  • Mandelic acid, alpha-methyl-, DL- (8CI)

Registry Numbers

CAS Registry Number

  • 515-30-0

FDA UNII

  • 3709C1T8IF

Other Registry Number

  • 4607-38-9

System Generated Number

  • 0000515300

Structure Descriptors

InChI

1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)

InChIKey

NWCHELUCVWSRRS-UHFFFAOYSA-N

Smiles

c1([C@@](C(O)=O)(C)O)ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 116.5 deg C   EXP
pKa Dissociation Constant 3.53 (none) 18 EXP
log P (octanol-water) 0.8 (none)   EXP
Water Solubility 2.12E+04 mg/L 25 EXP
Vapor Pressure 1.39E-05 mm Hg 25 EST
Henry's Law Constant 9.16E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.47E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.