Home > Compound List > Compound details
50-21-5 molecular structure
click picture or here to close

2-hydroxypropanoic acid

ChemBase ID: 103651
Molecular Formular: C3H6O3
Molecular Mass: 90.07794
Monoisotopic Mass: 90.03169405
SMILES and InChIs

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

Cite this record

CBID:103651 http://www.chembase.cn/molecule-103651.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 7.546188 Å3 Polar Surface Area 57.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 3.7849424  H Acceptors
H Donor LogD (pH = 5.5) -2.1885695 
LogD (pH = 7.4) -3.7410624  Log P -0.4718295 
Molar Refractivity 18.8398 cm3

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
syrup expand Show data source
Melting Point
16 - 17°C expand Show data source
L: 53 °C
D: 53 °C
D/L: 16.8 °C
expand Show data source
Boiling Point
122 °C @ 12 mmHg expand Show data source
122 °C/15 mmHg(lit.) expand Show data source
122°C expand Show data source
Flash Point
110 °C expand Show data source
113 °C expand Show data source
230 °F expand Show data source
235.4 °F expand Show data source
Density
1.209 g/mL at 25 °C expand Show data source
1.209 g/mL at 25 °C(lit.) expand Show data source
1.249 g/ml @ 15°C expand Show data source
Refractive Index
n20/D 1.425(lit.) expand Show data source
n20/D 1.4251 expand Show data source
n20/D 1.4262 expand Show data source
Optical Rotation
[α]20/D -13.0°, c = 2.5 in 1.5 M NaOH expand Show data source
pKa
3.86 expand Show data source
Std enthalpy of combustion
1361.9 kJ/mol, 325.5 kcal/mol, 15.1 kJ/g, 3.61 kcal/g expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
OD2800000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3265 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
36 expand Show data source
38-41 expand Show data source
R:34 expand Show data source
Safety Statements
26 expand Show data source
26-39 expand Show data source
S:26-36/37/39-45 expand Show data source
EU Classification
C9 expand Show data source
EU Hazard Identification Number
8B expand Show data source
Emergency Response Guidebook(ERG) Number
153 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
315, 318 expand Show data source
H315-H318 expand Show data source
H318 expand Show data source
GHS Precautionary statements
280, 305+351+338 expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Regulation Compliance
FCC expand Show data source
FDA 21 CFR (172.814) expand Show data source
FDA 21 CFR (178.1010) expand Show data source
FDA 21 CFR (184.1061) expand Show data source
Allergens
no known allergens expand Show data source
Purity
~20% (L-lactic acid in water) expand Show data source
~50% (L-lactic acid in water) expand Show data source
~90% (T) expand Show data source
≥85% expand Show data source
85% expand Show data source
85.0-92.0% expand Show data source
85-90% expand Show data source
85-90% (L-lactic acid in water) expand Show data source
88-92% total acid basis expand Show data source
Concentration
~40% in H2O expand Show data source
≥85% expand Show data source
1 M C3H6O3 (1N) expand Show data source
30% in H2O (by weight) expand Show data source
85 % (w/w) expand Show data source
85.0-90.0% in H2O expand Show data source
in H2O expand Show data source
Grade
ACS expand Show data source
ACS reagent expand Show data source
Halal expand Show data source
JIS special grade expand Show data source
Kosher expand Show data source
natural expand Show data source
NI expand Show data source
Ph Eur expand Show data source
purum expand Show data source
REAGENT expand Show data source
SAJ first grade expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
complies for appearance of solution expand Show data source
meets USP testing specifications expand Show data source
Ignition Residue
≤0.02% expand Show data source
≤0.02% (as SO4) expand Show data source
≤0.05% (as SO4) expand Show data source
Impurities
≤0.0005% heavy metals (as Pb) expand Show data source
≤1% D-lactic acid expand Show data source
condensation products (e.g. lactides) expand Show data source
H2SO4, passes test(darkened) expand Show data source
insoluble in ether, complies expand Show data source
methanol, complies (GC) expand Show data source
residual solvents, complies expand Show data source
sugar and orther red. Substances, complies expand Show data source
water, residual expand Show data source
Cation Traces
Ca: ≤10 mg/kg expand Show data source
Ca: ≤100 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤10 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤5 ppm expand Show data source
Fe: ≤50 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source
K: ≤100 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤100 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.001% expand Show data source
chloride (Cl-): ≤10 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤0.002% expand Show data source
sulfate (SO42-): ≤100 mg/kg expand Show data source
sulfate (SO42-): ≤20 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Quality
meets analytical specification of Ph. Eur., BP expand Show data source
volumetric expand Show data source
Pharmacopeia
testing & handling conforms to Pharmacopeia expand Show data source
Linear Formula
CH3CH(OH)CO2H expand Show data source
CH3CH(OH)COOH expand Show data source
Empirical Formula (Hill Notation)
C3H6O3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152532 external link
(CH3CHOHCOOH) ACS Reagent Grade Purity: 85-90%
Sigma Aldrich - 69780 external link
Other Notes
Aqueous solutions of l(+)-Lactate.
Sigma Aldrich - 69778 external link
Other Notes
Aqueous solutions of l(+)-Lactate.
Sigma Aldrich - L1250 external link
包装
1 L in poly bottle
500 mL in poly bottle
Sigma Aldrich - 69782 external link
Other Notes
Aqueous solutions of l(+)-Lactate.
Sigma Aldrich - L6661 external link
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 external link
Other Notes
Aqueous solutions of l(+)-Lactate.
Linkage
Purity equivalent to L 1750.
Sigma Aldrich - W261106 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
10, 25 kg in poly drum
Sigma Aldrich - L52 external link
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 external link
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 external link
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 external link
General description
Visit our Titration Center to learn more.
Other Notes
Aqueous solutions of l(+)-Lactate.
Sigma Aldrich - 69785 external link
Packaging
1, 2.5 L in glass bottle
250 mL in glass bottle
Sigma Aldrich - 27714 external link
Other Notes
Aqueous solutions of l(+)-Lactate.
Sigma Aldrich - 252476 external link
Other Notes
Contains varying amounts of intermolecular esterification products.
Packaging
1, 2.5 kg in poly bottle
100, 500 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle