PHOSPHORIC ACID
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Synonyms: | ORTHOPHOSPHORIC ACID |
| Chemical Names: | PHOSPHORIC ACID; ORTHOPHOSPHORIC ACID |
| CAS number: | 7664-38-2 |
| FEMA number: | 2900 |
| INS: | 338 |
| Functional Class: |
Food Additives ACID ANTIOXIDANT_SYNERGIST SEQUESTRANT SYNERGIST |
From apps.who.int
Evaluations
| Evaluation year: | 1982 |
| Meeting: | 26 |
| Specs Code: | R (1973) |
| Comments: | Group MTDI for phosphorus from all sources, expressed as P |
| Report: | TRS 683-JECFA 26/25,47 |
| Tox Monograph: | FAS 17-JECFA 26/151 |
| Specification: | COMPENDIUM ADDENDUM 10/FNP 52 Add.10/34 (METALS LIMITS) (2002). R; FAO JECFA Monographs 1 vol.3/43 |
From apps.who.int
GSFA Provisions for PHOSPHORIC ACID
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 06.6 | Batters (e.g. for breading or batters for fish or poultry) |
5,600 mg/kg | Note 33 |
| 01.3.2 | Beverage whiteners |
13,000 mg/kg | Note 33 |
| 07.1.4 | Bread-type products, including bread stuffing and bread crumbs |
9,300 mg/kg | Note 33,Note 229 |
| 06.3 | Breakfast cereals, including rolled oats |
2,200 mg/kg | Note 33 |
| 02.2.1 | Butter |
880 mg/kg | Note 33,Note 34 |
| 04.1.2.7 | Candied fruit |
10 mg/kg | Note 33 |
| 04.2.2.4 | Canned or bottled (pasteurized) or retort pouch vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), and seaweeds |
2,200 mg/kg | Note 33 |
| 06.5 | Cereal and starch based desserts (e.g. rice pudding, tapioca pudding) |
7,000 mg/kg | Note 33 |
| 01.6.5 | Cheese analogues |
9,000 mg/kg | Note 33 |
| 05.3 | Chewing gum |
44,000 mg/kg | Note 33 |
| 14.2.2 | Cider and perry |
880 mg/kg | Note 33 |
| 05.1.4 | Cocoa and chocolate products |
1,100 mg/kg | Note 33 |
| 05.1.1 | Cocoa mixes (powders) and cocoa mass/cake |
1,100 mg/kg | Note 97,Note 33 |
| 05.1.3 | Cocoa-based spreads, including fillings |
880 mg/kg | Note XS86,Note 33 |
| 14.1.5 | Coffee, coffee substitutes, tea, herbal infusions, and other hot cereal and grain beverages, excluding cocoa |
300 mg/kg | Note 160,Note 33 |
| 13.2 | Complementary foods for infants and young children |
4,400 mg/kg | Note 33,Note 230 |
| 14.1.2.3 | Concentrates for fruit juice |
1,000 mg/kg | Note 122,Note 33,Note 40,Note 127 |
| 14.1.3.3 | Concentrates for fruit nectar |
1,000 mg/kg | Note 122,Note 33,Note 40,Note 127 |
| 01.3.1 | Condensed milk (plain) |
880 mg/kg | Note 33 |
| 05.2 | Confectionery including hard and soft candy, nougats, etc. other than food categories 05.1, 05.3 and 05.4 |
2,200 mg/kg | Note XS309R,Note 33 |
| 09.2.4.1 | Cooked fish and fish products |
2,200 mg/kg | Note 33 |
| 09.2.4.2 | Cooked mollusks, crustaceans, and echinoderms |
2,200 mg/kg | Note 33 |
| 04.2.2.8 | Cooked or fried vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), and seaweeds |
2,200 mg/kg | Note 76,Note 33 |
| 07.1.2 | Crackers, excluding sweet crackers |
9,300 mg/kg | Note 33,Note 229 |
| 01.4 | Cream (plain) and the like |
2,200 mg/kg | Note 33 |
| 01.7 | Dairy-based desserts (e.g. pudding, fruit or flavoured yoghurt) |
1,500 mg/kg | Note 33 |
| 05.4 | Decorations (e.g. for fine bakery wares), toppings (non-fruit) and sweet sauces |
1,500 mg/kg | Note 33 |
| 13.5 | Dietetic foods (e.g. supplementary foods for dietary use) excluding products of food categories 13.1 - 13.4 and 13.6 |
2,200 mg/kg | Note 33 |
| 13.3 | Dietetic foods intended for special medical purposes (excluding products of food category 13.1) |
2,200 mg/kg | Note 33 |
| 13.4 | Dietetic formulae for slimming purposes and weight reduction |
2,200 mg/kg | Note 33 |
| 14.2.6 | Distilled spirituous beverages containing more than 15% alcohol |
440 mg/kg | Note 88,Note 33 |
| 06.4.2 | Dried pastas and noodles and like products |
900 mg/kg | Note 211,Note 33 |
| 04.2.2.2 | Dried vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
5,000 mg/kg | Note 76,Note 33 |
| 01.8.2 | Dried whey and whey products, excluding whey cheeses |
4,400 mg/kg | Note 33 |
| 08.4 | Edible casings (e.g. sausage casings) |
1,100 mg/kg | Note 33 |
| 03.0 | Edible ices, including sherbet and sorbet |
7,500 mg/kg | Note 33 |
| 10.4 | Egg-based desserts (e.g. custard) |
1,400 mg/kg | Note 33 |
| 02.3 | Fat emulsions mainly of type oil-in-water, including mixed and/or flavoured products based on fat emulsions |
2,200 mg/kg | Note 33 |
| 02.2.2 | Fat spreads, dairy fat spreads and blended spreads |
2,200 mg/kg | Note 33 |
| 02.4 | Fat-based desserts excluding dairy-based dessert products of food category 01.7 |
1,500 mg/kg | Note 33 |
| 01.2 | Fermented and renneted milk products (plain) |
1,000 mg/kg | Note 33 |
| 04.1.2.10 | Fermented fruit products |
2,200 mg/kg | Note 33 |
| 04.2.2.7 | Fermented vegetable (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera) and seaweed products, excluding fermented soybean products of food categories 06.8.6, 06.8.7, 12.9.1, 12.9.2.1 and 12.9.2.3 |
2,200 mg/kg | Note 33 |
| 07.2 | Fine bakery wares (sweet, salty, savoury) and mixes |
9,300 mg/kg | Note 33,Note 229 |
| 09.3.1 | Fish and fish products, including mollusks, crustaceans, and echinoderms, marinated and/or in jelly |
2,200 mg/kg | Note 33 |
| 09.3.2 | Fish and fish products, including mollusks, crustaceans, and echinoderms, pickled and/or in brine |
2,200 mg/kg | Note 33 |
| 01.1.4 | Flavoured fluid milk drinks |
1,500 mg/kg | Note 364,Note 398,Note 33 |
| 06.2.1 | Flours |
2,500 mg/kg | Note 33,Note 225 |
| 01.1.3.2 | Fluid buttermilk (plain) |
1,500 mg/kg | Note 227,Note 33,Note 397 |
| 01.1.1 | Fluid milk (plain) |
1,500 mg/kg | Note 33,Note 227 |
| 13.6 | Food supplements |
2,200 mg/kg | Note 33 |
| 06.4.1 | Fresh pastas and noodles and like products |
2,500 mg/kg | Note 211,Note 33 |
| 09.2.2 | Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
2,200 mg/kg | Note 299,Note 33 |
| 10.2.2 | Frozen egg products |
1,290 mg/kg | Note 33 |
| 09.2.1 | Frozen fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
2,200 mg/kg | Note XS292,Note XS36,Note 393,Note XS191,Note 33,Note XS312,Note 394 |
| 09.2.3 | Frozen minced and creamed fish products, including mollusks, crustaceans, and echinoderms |
2,200 mg/kg | Note 33 |
| 08.2.3 | Frozen processed meat, poultry, and game products in whole pieces or cuts |
2,200 mg/kg | Note 33 |
| 04.2.2.1 | Frozen vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
5,000 mg/kg | Note 76,Note 33 |
| 04.1.2.11 | Fruit fillings for pastries |
1,500 mg/kg | Note 33 |
| 04.1.2.3 | Fruit in vinegar, oil, or brine |
2,200 mg/kg | Note 33 |
| 14.1.2.1 | Fruit juice |
1,000 mg/kg | Note 122,Note 33,Note 40 |
| 14.1.3.1 | Fruit nectar |
1,000 mg/kg | Note 122,Note 33,Note 40 |
| 04.1.2.8 | Fruit preparations, including pulp, purees, fruit toppings and coconut milk |
350 mg/kg | Note 33 |
| 04.1.2.9 | Fruit-based desserts, including fruit-flavoured water-based desserts |
1,500 mg/kg | Note 33 |
| 04.1.2.6 | Fruit-based spreads (e.g. chutney) excluding products of food category 04.1.2.5 |
1,100 mg/kg | Note 33 |
| 09.4 | Fully preserved, including canned or fermented fish and fish products, including mollusks, crustaceans, and echinoderms |
2,200 mg/kg | Note 33 |
| 08.2.2 | Heat-treated processed meat, poultry, and game products in whole pieces or cuts |
1,320 mg/kg | Note 289,Note 33 |
| 05.1.5 | Imitation chocolate, chocolate substitute products |
2,200 mg/kg | Note 33 |
| 10.2.1 | Liquid egg products |
4,400 mg/kg | Note 33,Note 67 |
| 01.8.1 | Liquid whey and whey products, excluding whey cheeses |
880 mg/kg | Note 228,Note 33 |
| 14.2.5 | Mead |
440 mg/kg | Note 88,Note 33 |
| 01.5.2 | Milk and cream powder analogues |
4,400 mg/kg | Note 88,Note 33 |
| 01.5.1 | Milk powder and cream powder (plain) |
4,400 mg/kg | Note 33 |
| 07.1.6 | Mixes for bread and ordinary bakery wares |
9,300 mg/kg | Note 33,Note 229 |
| 08.2.1 | Non-heat treated processed meat, poultry, and game products in whole pieces or cuts |
2,200 mg/kg | Note 33 |
| 07.1.3 | Other ordinary bakery products (e.g. bagels, pita, English muffins) |
9,300 mg/kg | Note 33,Note 229 |
| 11.4 | Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings) |
1,320 mg/kg | Note 33 |
| 04.2.1.3 | Peeled, cut or shredded fresh vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
5,600 mg/kg | Note 76,Note 33 |
| 11.1.2 | Powdered sugar, powdered dextrose |
6,600 mg/kg | Note 56,Note 33 |
| 06.4.3 | Pre-cooked pastas and noodles and like products |
2,500 mg/kg | Note 211,Note 33 |
| 10.3 | Preserved eggs, including alkaline, salted, and canned eggs |
1,000 mg/kg | Note 33 |
| 01.6.4 | Processed cheese |
9,000 mg/kg | Note 33 |
| 08.3 | Processed comminuted meat, poultry, and game products |
2,200 mg/kg | Note XS88,Note 33,Note 302 |
| 15.0 | Ready-to-eat savouries |
2,200 mg/kg | Note 33 |
| 09.3.3 | Salmon substitutes, caviar, and other fish roe products |
2,200 mg/kg | Note 33 |
| 12.1.1 | Salt |
8,800 mg/kg | Note 33 |
| 12.1.2 | Salt Substitutes |
4,400 mg/kg | Note 33 |
| 12.6 | Sauces and like products |
2,200 mg/kg | Note 33 |
| 12.2.2 | Seasonings and condiments |
2,200 mg/kg | Note 226,Note 33 |
| 09.3.4 | Semi-preserved fish and fish products, including mollusks, crustaceans, and echinoderms (e.g. fish paste), excluding products of food categories 09.3.1 - 09.3.3 |
2,200 mg/kg | Note 193,Note 33 |
| 07.1.1.2 | Soda breads |
9,300 mg/kg | Note 33,Note 229 |
| 12.5 | Soups and broths |
1,500 mg/kg | Note 343,Note 33 |
| 06.8.3 | Soybean curd (tofu) |
100 mg/kg | Note 33 |
| 06.8.1 | Soybean-based beverages |
1,300 mg/kg | Note 33 |
| 12.9 | Soybean-based seasonings and condiments |
1,200 mg/kg | Note 33 |
| 07.1.5 | Steamed breads and buns |
9,300 mg/kg | Note 33,Note 229 |
| 04.2.1.2 | Surface-treated fresh vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
1,760 mg/kg | Note 33,Note 16 |
| 11.6 | Table-top sweeteners, including those containing high-intensity sweeteners |
1,000 mg/kg | Note 33 |
| 01.6.1 | Unripened cheese |
4,400 mg/kg | Note 33 |
| 04.2.2.6 | Vegetable (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweed, and nut and seed pulps and preparations (e.g. vegetable desserts and sauces, candied vegetables) other than food category 04.2.2.5 |
2,200 mg/kg | Note 33 |
| 04.2.2.5 | Vegetable (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweed, and nut and seed purees and spreads (e.g., peanut butter) |
2,200 mg/kg | Note 76,Note 33 |
| 04.2.2.3 | Vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), and seaweeds in vinegar, oil, brine, or soybean sauce |
2,200 mg/kg | Note 33 |
| 14.1.4 | Water-based flavoured drinks, including "sport," "energy," or "electrolyte" drinks and particulated drinks |
1,000 mg/kg | Note 33 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 1004 |
| IUPAC Name | phosphoric acid |
| InChI | InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) |
| InChI Key | NBIIXXVUZAFLBC-UHFFFAOYSA-N |
| Canonical SMILES | OP(=O)(O)O |
| Molecular Formula | H3PO4 |
| Wikipedia | phosphoric acid |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 97.994 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 49.8 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A O A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A C C A A A A A A A A A A A A A A A B A A Q A A A A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 77.8 |
| Monoisotopic Mass | 97.977 |
| Exact Mass | 97.977 |
| XLogP3 | None |
| XLogP3-AA | -2.1 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem
Food Additives Biosynthesis/Degradation
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9247 |
| Human Intestinal Absorption | HIA- | 0.7893 |
| Caco-2 Permeability | Caco2- | 0.8094 |
| P-glycoprotein Substrate | Non-substrate | 0.8448 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9749 |
| Non-inhibitor | 0.9916 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9532 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.7753 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.7927 |
| CYP450 2D6 Substrate | Non-substrate | 0.8454 |
| CYP450 3A4 Substrate | Non-substrate | 0.7368 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.9304 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9160 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9384 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9247 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9442 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9768 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9203 |
| Non-inhibitor | 0.9602 | |
| AMES Toxicity | Non AMES toxic | 0.9303 |
| Carcinogens | Carcinogens | 0.6126 |
| Fish Toxicity | Low FHMT | 0.7692 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.7328 |
| Honey Bee Toxicity | High HBT | 0.7957 |
| Biodegradation | Not ready biodegradable | 0.7546 |
| Acute Oral Toxicity | III | 0.8267 |
| Carcinogenicity (Three-class) | Non-required | 0.6036 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.0053 | LogS |
| Caco-2 Permeability | -0.5668 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 1.7757 | LD50, mol/kg |
| Fish Toxicity | 1.9498 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.6562 | pIGC50, ug/L |
From admetSAR
Toxicity Profile
| Route of Exposure | |
|---|---|
| Mechanism of Toxicity | |
| Metabolism | |
| Toxicity Values | |
| Lethal Dose | |
| Carcinogenicity (IARC Classification) | No indication of carcinogenicity to humans (not listed by IARC). |
| Minimum Risk Level | |
| Health Effects | |
| Treatment | |
| Reference |
|
From T3DB
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Homogeneous non-metal compounds |
| Class | Non-metal oxoanionic compounds |
| Subclass | Non-metal phosphates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Non-metal phosphates |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Non-metal phosphate - Inorganic oxide |
| Description | This compound belongs to the class of inorganic compounds known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion. |
From ClassyFire
Targets
- General Function:
- Zinc ion binding
- Specific Function:
- Nuclear hormone receptor. Binds estrogens with an affinity similar to that of ESR1, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent manner (PubMed:20074560). Isoform beta-cx lacks ligand binding ability and has no or only very low ere binding activity resulting in the loss of ligand-dependent transactivation ability. DNA-binding by ESR1 and ESR2 is rapidly lost at 37 degrees Celsius in the absence of ligand while in the presence of 17 beta-estradiol and 4-hydroxy-tamoxifen loss in DNA-binding at elevated temperature is more gradual.
- Gene Name:
- ESR2
- Uniprot ID:
- Q92731
- Molecular Weight:
- 59215.765 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
From T3DB