ethyl (2R)-2-hydroxypropanoate

• ChemBase ID: 69755
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: C(=O)([C@@H](C)O)OCC
• Canonical SMILES: CCOC(=O)[C@H](O)C
• InChI: InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m1/s1
• InChIKey: LZCLXQDLBQLTDK-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2R)-2-hydroxypropanoate
• IUPAC Traditional name: ethyl (2R)-2-hydroxypropanoate
• Synonyms: (+)-Ethyl (R)-2-hydroxypropionate; (R)-(+)-2-Hydroxypropionic acid ethyl ester; (+)-Ethyl D-lactate; (+)-Ethyl 2-Hydroxypropanoate; (+)-Ethyl 2-Hydroxypropionate; (R)-(+)-Lactic Acid Ethyl Ester; (R)-2-Hydroxypropionic Acid Ethyl Ester; (R)-Ethyl Lactate; Ethyl D-Lactate; (+)-Ethyl D-lactate; Ethyl (2S)-2-hydroxypropanoate; Ethyl L-lactate 99%; ethyl (2R)-2-hydroxypropanoate; (+)-(R)-2-羟基丙酸乙酯; (R)-(+)-2-羟基丙酸乙酯; (+)-D-乳酸乙酯

Database IDs

• CAS Number: 687-47-8; 7699-00-5
• MDL Number: MFCD00077825; MFCD00004518
• Beilstein Number: 1720840
• PubChem SID: 24885870; 162035480
• PubChem CID: 637513

CALCULATED PROPERTIES

• Acid pKa: 12.999511
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.03087248
• LogD (pH = 7.4): 0.030871402
• Log P: 0.030872492
• Molar Refractivity: 28.3575 cm^3
• Polarizability: 11.390625 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -25°C
• Boiling Point: 152-155°C
• Flash Point: 114.8 °F; 46 °C; 46°C
• Density: 1.036
• Refractive Index: 1.413
• Hydrophobicity(logP): 0.331

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1192
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-37-41
• Safety Statements: 24-26-39
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1192 3/PG 3

Product Information

• Purity: ≥99.0% (sum of enantiomers, GC); 95%; 95+%
• Optical Purity: enantiomeric ratio: ≥99:1 (GC)
• Empirical Formula (Hill Notation): C5H10O3