Citric acid
Properties
- Molecular formula
- C6H8O7
- Molar mass
- 192.12 g/mol
- Exact mass
- 192.0270 Da
- Density
- 1.665 g/mL (at 20 °C)
- Melting point
- 153 °C
- Boiling point
- 142–143 °C
- pKa
- 2.79
- Flash point
- 100 °C
- Water solubility
- 590 g/L (20 °C)
- logP
- -1.25Crippen estimate
- Polar surface area
- 132.1 Ų
- H-bond donors / acceptors
- 4 / 4
- Rotatable bonds
- 5
Hazards
Warning
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
Harmonised EU classification (CLP Annex VI, index 607-750-00-3), via PubChem.
Precautionary statements
P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, P501
Identifiers
CAS number
77-92-9SMILES
O=C(O)CC(O)(CC(=O)O)C(=O)OInChIKey
KRKNYBCHXYNGOX-UHFFFAOYSA-NInChI
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
39 names · show all
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-
- 2-Hydroxy-1,2,3-propanetricarboxylic acid
- Aciletten
- Citretten
- Citro
- Hydrocerol A
- Chemfill
- 3-Carboxy-3-hydroxypentane-1,5-dioic acid
- F 0001 (Polycarboxylic acid)
- Uro-trainer
- E 330
- Suby G
- NSC 112226
- NSC 30279
- NSC 626579
- Celenex 3P6
- 2-Hydroxy-1,2,3-propanetricarboxyic acid
- 2-Hydroxypropan-1,2,3-tricarboxylic acid
- INS 330
- FE 2
- F 4020
- Grindsted pro tex TR 100
- Citric acid monoglyceride
- Monoglyceride citrate
- Jet setter
- EL 4
- EL 4 (polycarboxylic acid)
- Cellborn SC-C
- KK 120
- BioLink Acidifier
- TBA 80
- PAS 33
- 8: PN: WO2017048620 SEQID: 13 claimed sequence
- F 3500
- C 1949
- 3-Hydroxy-3-carboxy-1,5-pentanedioic acid
- 3-Hydroxy-pentane-1,3-5-trioic acid
- 3-Carboxy-3-hydroxy-pentanedioic acid
- Liquinat L 50
Work with Citric acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-1Hydrate
Trisodium citrate68-04-2Salt
Potassium citrate866-84-2Salt
Calcium citrate813-94-5Salt
Ammonium ferric citrate1185-57-5Salt
Disodium citrate144-33-2Salt
Monosodium citrate18996-35-5Salt
Piperazine citrate144-29-6Salt
Triammonium citrate3458-72-8Salt
Aluminium citrate31142-56-0Salt
Clostilbegit50-41-9Salt
Iron(III) citrate3522-50-7Salt
Similar compounds
1-Hydroxy-1-cyclopropanecarboxylic acid17994-25-158 % similar
(R)-(-)-Citramalic acid6236-10-855 % similar
1-Hydroxy-cyclobutanecarboxylic acid41248-13-954 % similar
2,2-Dimethylsuccinic acid597-43-354 % similar
2,2-Difluorobutanedioic acid665-31-654 % similar
3-Hydroxy-3-methylglutaric acid503-49-146 % similar
3-Hydroxyisovaleric acid625-08-146 % similar
3,3,3-Trifluoropropionic acid2516-99-646 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.