(R,S)-mandelic acid

CAS Number: 90-64-2

Molecular Mass: 152.15 g/mol

Formula: C₈H₈O₃

Smiles: O=C(O)C(O)c1ccccc1

Synonymes:

(R,S)-mandelic acid, MANDELIC ACID, dl-Mandelic acid, 2-hydroxy-2-phenylacetic acid, 90-64-2, Phenylglycolic acid, Paramandelic acid, Amygdalic acid, Uromaline, Racemic mandelic acid, Phenylhydroxyacetic acid, (RS)-Mandelic acid, alpha-Hydroxyphenylacetic acid, Acido mandelico, Kyselina mandlova, Benzeneacetic acid, alpha-hydroxy-, alpha-Hydroxybenzeneacetic acid, NSC-7925, NH496X0UJX, DTXSID6023234, CHEBI:35825, RefChem:5982, DTXCID203234, 202-007-6, 611-72-3, Almond acid, 2-Phenylglycolic acid, p-Mandelic acid, Hydroxy(phenyl)acetic acid, (+/-)-alpha-Hydroxyphenylacetic acid, Glycolic acid, phenyl-, 2-Phenyl-2-hydroxyacetic acid, 2-hydroxy-2-phenyl-acetic acid, DL-Hydroxy(phenyl)acetic acid, (+/-)-mandelic acid, Pregabalin EP Impurity C, NSC 7925, Benzeneacetic acid, .alpha.-hydroxy-, DL-Amygdalic Acid, .alpha.-Hydroxyphenylacetic acid, alpha-Hydroxy-alpha-toluic acid, Kyselina 2-fenyl-2-hydroxyethanova, (+-)-alpha-Hydroxybenzeneacetic acid, .alpha.-Hydroxy-.alpha.-toluic acid, MFCD00064250, .alpha.-Toluic acid, .alpha.-hydroxy-, (+)-Mandelate, XXI, (+-)-Mandelic acid, Benzeneacetic acid, .alpha.-hydroxy-, (.+/-.)-, mandelic-acid, 2-Hydroy-2-phenylacetic acid, Mandelic acid [USP], DL-Mandelicacid, Acido mandelico [Italian], Kyselina mandlova [Czech], 32518-00-6, (+-)-2-Hydroxy-2-phenylethanoic acid, alpha-Toluic acid, alpha-hydroxy-, DL-2-Hydroxy-2-phenylacetic acid, 81432-25-9, (+-)-alpha-Hydroxyphenylacetic acid, EINECS 202-007-6, EINECS 210-277-1, UNII-NH496X0UJX, 2-Hydroxy-2-phenylethanoic acid, alpha-Hydroxybenzeneacetic acid, (+-)-, AI3-06293, Kyselina 2-fenyl-2-hydroxyethanova [Czech], Benzoglycolic acid, Phenylacetic acid, alpha-hydroxy-, NCGC00166022-01, l(+)mandelic acid, (+) mandelic acid, (+)-mandelic acid, SAMMA, hyroxyphenylacetic acid, (+/-)-alpha-Hydroxybenzeneacetic acid, l (+)-mandelic acid, Mandelic acid, 99%, (-)-Mandelate, XX, hydroxyphenyl acetic acid, Benzeneacetic acid, .alpha.-hydroxy-, (.alpha.R)-, Mandelic acid (Standard), WLN: QYR&VQ, hydroxy-phenyl-acetic acid, Mandelic acid, >=99%, DL-Mandelic acid, 99%, MANDELIC ACID [MI], SCHEMBL1050, (.+/-.)-Mandelic acid, CHEMBL1609, 2-Hydroxy-2-phenylaceticacid, MLS001074208, SCHEMBL182527, MANDELIC ACID [MART.], orb1302515, orb3139825, SCHEMBL6966223, MANDELIC ACID [USP-RS], MANDELIC ACID [WHO-DD], .alpha.-Phenylhydroxyacetic acid, SCHEMBL17140887, SCHEMBL27903411, BDBM92715, NSC7925, HMS2230F19, HMS3371M20, HMS3373A03, HMS5086C15, acetic acid, 2-hydroxy-2-phenyl-, (2rs)-hydroxy(phenyl)ethanoic acid, HY-W015591R, VCA83871, BBL028097, EBC-26103, s3363, SBB007730, STL283951, AKOS000118795, AKOS016050628, CS-W016307, DB13218, FM03657, HY-W015591, KS-1423, MSK70025-1000W, NCGC00166023-01, NCGC00166269-01, (.+/-.)-alpha-Hydroxybenzeneacetic acid, AC-12228, SMR000653543, DB-016128, DB-016158, DS-000887, M0038, NS00001311, Benzeneacetic acid, .alpha.-hydroxy-, ( )-, Benzeneacetic acid, .alpha.-hydroxy-, (S)-, EN300-19482, Mandelic acid Solution in Water, 1000ug/mL, PHENYLACETIC ACID, .ALPHA.--HYDROXY-, DL-Mandelic acid, analytical reference material, H55120, MLS-0090887.0001, AE-562/40233036, DL-Mandelic Acid(Discontinued,See C4X-131277), F093723, Q412293, (2RS)-2-Hydroxy-2-phenylacetic Acid (Mandelic Acid), BRD-A91448670-001-06-4, GLYCOPYRRONIUM BROMIDE IMPURITY C [EP IMPURITY], Mandelic Acid ((2RS)-2-Hydroxy-2-phenylacetic Acid), 14A53E4A-8315-42A7-9D60-DE06CCBB1AF9, F2191-0202, HOMATROPINE HYDROBROMIDE IMPURITY C [EP IMPURITY], Z104473974, HOMATROPINE METHYLBROMIDE IMPURITY C [EP IMPURITY], Pregabalin EP Impurity C(Glycopyrronium Bromide EP Impurity C), Mandelic acid, United States Pharmacopeia (USP) Reference Standard, D-2-Hydroxy-2-phenylacetic acid, (S)-(+)-alpha-Hydroxyphenylacetic acid, a-Hydroxy-benzeneacetic acid, Hydroxy(phenyl)acetic acid, 2-Phenylglycolic acid, 2-Hydroxy-2-phenylacetic acid, alpha-Hydroxyphenylacetic acid, R(-)-Mandelic acid, Pregabalin EP Impurity C, Glycopyrronium Bromide EP Impurity C, Homatropine Hydrobromide EP Impurity C

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Propanol	293.15	-	494.4	[286]
1-Propanol	298.15	-	547.2	[286]
1-Propanol	305.35	-	624.6	[286]
1-Propanol	308.15	-	676.6	[286]
1-Propanol	313.15	-	756.5	[286]
1-Propanol	318.15	-	848.2	[286]
1-Propanol	323.15	-	948.0	[286]
1-Propanol	328.15	-	1040.7	[286]
1-Propanol	333.15	-	1137.6	[286]
1-Propanol	338.15	-	1243.2	[286]
Ethanol	294.65	-	851.7	[286]
Ethanol	299.45	-	914.8	[286]
Ethanol	303.85	-	971.4	[286]
Ethanol	308.25	-	1059.1	[286]
Ethanol	314.65	-	1225.2	[286]
Ethanol	319.15	-	1356.4	[286]
Ethanol	324.85	-	1513.4	[286]
Ethanol	328.55	-	1632.2	[286]
Ethanol	333.45	-	1786.0	[286]
Ethanol	338.15	-	1938.8	[286]
Isopropanol	293.15	-	539.4	[286]
Isopropanol	298.15	-	610.3	[286]
Isopropanol	305.15	-	698.4	[286]
Isopropanol	308.15	-	731.0	[286]
Isopropanol	313.15	-	809.0	[286]
Isopropanol	318.15	-	889.5	[286]
Isopropanol	323.15	-	980.5	[286]
Isopropanol	328.15	-	1085.6	[286]
Isopropanol	333.15	-	1177.6	[286]
Isopropanol	338.15	-	1312.6	[286]
Methanol	283.15	-	1171.4	[286]
Methanol	288.15	-	1215.7	[286]
Methanol	293.15	-	1291.9	[286]
Methanol	298.15	-	1349.3	[286]
Methanol	304.65	-	1445.3	[286]
Methanol	308.15	-	1525.5	[286]
Methanol	313.15	-	1629.6	[286]
Methanol	318.15	-	1735.4	[286]
Water	293.15	-	154.7	[286]
Water	298.15	-	200.8	[286]
Water	303.15	-	323.4	[286]
Water	308.15	-	589.3	[286]
Water	313.15	-	1039.1	[286]
Water	318.15	-	1588.2	[286]
Water	323.15	-	2167.0	[286]
Water	328.15	-	2587.4	[286]
Water	333.15	-	3205.0	[286]
Water	338.15	-	3840.7	[286]

Molecule 3D descriptors

Descriptor	Value
PMI1	234.2980
PMI2	693.9735
PMI3	773.1746
NPR1	0.3030
NPR2	0.8976
RadiusOfGyration	2.3646
InertialShapeFactor	0.0038
Eccentricity	0.9530
Asphericity	0.3509
SpherocityIndex	0.3289
PBF	0.7299