2-hydroxypropanoic acid

• ChemBase ID: 103651
• Molecular Formular: C3H6O3
• Molecular Mass: 90.07794
• Monoisotopic Mass: 90.03169405
• SMILES: CC(O)C(=O)O
• Canonical SMILES: OC(=O)C(O)C
• InChI: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
• InChIKey: JVTAAEKCZFNVCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxypropanoic acid
• IUPAC Traditional name: lactic acid
• Synonyms: (S)-2-Hydroxypropionic acid; Sarcolactic acid; L-(+)-Lactic acid solution; DL-Lactic acid; L(+)-Lactic acid; Milk acid; Lactic acid; DL-Lactic acid; Lactic acid; 2-Hydroxypropionic acid; Acetonic Acid; Ethylidenelactic acid; LACTIC ACID, ACS; Lactic acid solution; Acidum lacticum; (S)-2-羟基丙酸; 肌乳酸; L-(+)-乳酸 溶液; 2-羟基丙酸; DL-乳酸; DL-乳酸; 乳酸; 乳酸 溶液; 丙醇酸

Database IDs

• CAS Number: 50-21-5; 79-33-4
• EC Number: 200-018-0
• MDL Number: MFCD00064266; MFCD00004520
• Beilstein Number: 1209341; 1720251; 5238667
• PubChem SID: 24896292; 24855212; 24885976; 24896274; 24885977; 24885978; 24885975; 24856736; 24896442; 24896397; 24901202; 162102856; 24901203; 24861770
• PubChem CID: 612
• CHEBI ID: 422
• ATC CODE: QP53AG02; G01AD01
• CHEMBL: 330546
• Chemspider ID: 96860
• FEMA ID: 2611
• Wikipedia Title: Lactic_acid
• Council of Europe Number: 4c; 4
• Flavis Number: 8.004

CALCULATED PROPERTIES

• Polarizability: 7.546188 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 18.8398 cm^3

PROPERTIES

Physical Property

• Apperance: syrup
• Melting Point: 16 - 17°C; L: 53 °C; D: 53 °C; D/L: 16.8 °C
• Boiling Point: 122 °C @ 12 mmHg; 122 °C/15 mmHg(lit.); 122°C
• Flash Point: 110 °C; 113 °C; 230 °F; 235.4 °F
• Density: 1.209 g/mL at 25 °C; 1.209 g/mL at 25 °C(lit.); 1.249 g/ml @ 15°C
• Refractive Index: n20/D 1.425(lit.); n20/D 1.4251; n20/D 1.4262
• Optical Rotation: [α]20/D -13.0°, c = 2.5 in 1.5 M NaOH
• pKa: 3.86
• Std enthalpy of combustion: 1361.9 kJ/mol, 325.5 kcal/mol, 15.1 kJ/g, 3.61 kcal/g

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: OD2800000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3265
• German water hazard class: 1; 2; 3
• Hazard Class: 8
• Packing Group: II
• Australian Hazchem: 2X
• Risk Statements: 36; 38-41; R:34
• Safety Statements: 26; 26-39; S:26-36/37/39-45
• EU Classification: C9
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 153
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 315, 318; H315-H318; H318
• GHS Precautionary statements: 280, 305+351+338; P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C
• Regulation Compliance: FCC; FDA 21 CFR (172.814); FDA 21 CFR (178.1010); FDA 21 CFR (184.1061)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ~20% (L-lactic acid in water); ~50% (L-lactic acid in water); ~90% (T); ≥85%; 85%; 85.0-92.0%; 85-90%; 85-90% (L-lactic acid in water); 88-92% total acid basis
• Concentration: ~40% in H2O; ≥85%; 1 M C3H6O3 (1N); 30% in H2O (by weight); 85 % (w/w); 85.0-90.0% in H2O; in H2O
• Grade: ACS; ACS reagent; Halal; JIS special grade; Kosher; natural; NI; Ph Eur; purum; REAGENT; SAJ first grade
• Suitability: complies for appearance of solution; meets USP testing specifications
• Ignition Residue: ≤0.02%; ≤0.02% (as SO4); ≤0.05% (as SO4)
• Impurities: ≤0.0005% heavy metals (as Pb); ≤1% D-lactic acid; condensation products (e.g. lactides); H2SO4, passes test(darkened); insoluble in ether, complies; methanol, complies (GC); residual solvents, complies; sugar and orther red. Substances, complies; water, residual
• Cation Traces: Ca: ≤10 mg/kg; Ca: ≤100 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤10 mg/kg; Fe: ≤5 mg/kg; Fe: ≤5 ppm; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤5 ppm; K: ≤100 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.002%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤20 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Quality: meets analytical specification of Ph. Eur., BP; volumetric
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Linear Formula: CH3CH(OH)CO2H; CH3CH(OH)COOH
• Empirical Formula (Hill Notation): C3H6O3

DETAILS

MP Biomedicals - 02152532

(CH3CHOHCOOH) ACS Reagent Grade Purity: 85-90%

Sigma Aldrich - 69780

Other Notes
Aqueous solutions of l(+)-Lactate.

Sigma Aldrich - 69778

Other Notes
Aqueous solutions of l(+)-Lactate.

Sigma Aldrich - L1250

包装
1 L in poly bottle
500 mL in poly bottle

Sigma Aldrich - 69782

Other Notes
Aqueous solutions of l(+)-Lactate.

Sigma Aldrich - L6661

Other Notes
乳酸浓缩液通常是乳酸/乳酸盐和乳酸的混合物。
包装
100, 500 mL in poly bottle

Sigma Aldrich - L1875

Other Notes
Aqueous solutions of l(+)-Lactate.
Linkage
Purity equivalent to L 1750.

Sigma Aldrich - W261106

Packaging
1 kg in glass bottle
1 sample in glass bottle
10, 25 kg in poly drum

Sigma Aldrich - L52

Other Notes
Contains varying amounts of intermolecular esterification products.
Contains varying amounts of intermolecular esterification products
Packaging
500 g in glass bottle

Sigma Aldrich - W261114

General description
Remaining 15% contains: water, higher oligomers of lactic acid and other FEMA GRAS components
Packaging
1 kg in glass bottle
1 sample in glass bottle
5, 10 kg in poly drum

Sigma Aldrich - 69773

General description
~30% of lactic acid in form of condensation products (e.g. lactides)
Other Notes
Aqueous solutions of l(+)-Lactate.
Convenient buffer for the demineralization of histological specimens1

Sigma Aldrich - 35202

General description
Visit our Titration Center to learn more.
Other Notes
Aqueous solutions of l(+)-Lactate.

Sigma Aldrich - 69785

Packaging
1, 2.5 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 27714

Other Notes
Aqueous solutions of l(+)-Lactate.

Sigma Aldrich - 252476

Other Notes
Contains varying amounts of intermolecular esterification products.
Packaging
1, 2.5 kg in poly bottle
100, 500 g in poly bottle