SULFUR DIOXIDE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
CAS number: | 7446-09-5 |
INS: | 220 |
Functional Class: |
Food Additives PRESERVATIVE ANTIOXIDANT FLOUR_TREATMENT_AGENT |
From apps.who.int
Evaluations
Evaluation year: | 1998 |
ADI: | 0-0.7 mg/kg bw |
Meeting: | 49 |
Specs Code: | R (1997) |
Comments: | Group ADI, expressed as sulfur dioxide, for calcium hydrogen sulfite, calcium metabisulfite, calcium sulfite, potassium hydrogen sulfite, potassium metabisulfite, potassium sulfite, sodium hydrogen sulfite, sodium metabisulfite, sodium sulfite, sodium thiosulfate, and sulfur dioxide |
Report: | TRS 891-JECFA 51/30 |
Tox Monograph: | FAS 42-JECFA 51/95 |
Specification: | COMPENDIUM ADDENDUM 6/FNP 52 Add.6/159. R; FAO JECFA Monographs 1 vol.3/465 |
From apps.who.int
GSFA Provisions for SULFUR DIOXIDE
Number | Food Category | Max Level | Notes |
---|---|---|---|
14.2.7 | Aromatized alcoholic beverages (e.g. beer, wine and spirituous cooler-type beverages, low alcoholic refreshers) |
250 mg/kg | Note 44 |
14.2.1 | Beer and malt beverages |
50 mg/kg | Note 44 |
11.2 | Brown sugar excluding products of food category 11.1.3 |
40 mg/kg | Note 44 |
04.1.2.7 | Candied fruit |
100 mg/kg | Note 44 |
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 |
50 mg/kg | Note 44 |
14.2.2 | Cider and perry |
200 mg/kg | Note 44 |
14.1.2.3 | Concentrates for fruit juice |
50 mg/kg | Note 127,Note 44,Note 122 |
14.1.3.3 | Concentrates for fruit nectar |
50 mg/kg | Note 127,Note 44,Note 122 |
14.1.2.4 | Concentrates for vegetable juice |
50 mg/kg | Note 127,Note 44,Note 122 |
14.1.3.4 | Concentrates for vegetable nectar |
50 mg/kg | Note 127,Note 44,Note 122 |
09.2.4.2 | Cooked mollusks, crustaceans, and echinoderms |
150 mg/kg | Note 44 |
14.2.6 | Distilled spirituous beverages containing more than 15% alcohol |
200 mg/kg | Note 44 |
04.1.2.2 | Dried fruit |
1,000 mg/kg | Note 135,Note 218,Note 44 |
04.2.2.2 | Dried vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
500 mg/kg | Note 44,Note 105 |
04.1.2.10 | Fermented fruit products |
100 mg/kg | Note 44 |
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 |
500 mg/kg | Note 44 |
07.2 | Fine bakery wares (sweet, salty, savoury) and mixes |
50 mg/kg | Note 44 |
06.2.1 | Flours |
200 mg/kg | Note 44 |
09.1.2 | Fresh mollusks, crustaceans, and echinoderms |
100 mg/kg | Note XS315,Note 44,Note XS312,Note 390 |
09.2.1 | Frozen fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
100 mg/kg | Note XS36,Note 392,Note XS191,Note 44,Note XS312,Note 139,Note XS315,Note XS165,Note XS190,Note 19 |
04.1.2.1 | Frozen fruit |
500 mg/kg | Note 155,Note 44 |
04.2.2.1 | Frozen vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
50 mg/kg | Note 136,Note 44,Note 137,Note 76 |
04.1.2.11 | Fruit fillings for pastries |
100 mg/kg | Note 44 |
04.1.2.3 | Fruit in vinegar, oil, or brine |
100 mg/kg | Note 44 |
14.1.2.1 | Fruit juice |
50 mg/kg | Note 122,Note 44 |
14.1.3.1 | Fruit nectar |
50 mg/kg | Note 122,Note 44 |
04.1.2.8 | Fruit preparations, including pulp, purees, fruit toppings and coconut milk |
100 mg/kg | Note 206,Note 44 |
04.1.2.9 | Fruit-based desserts, including fruit-flavoured water-based desserts |
100 mg/kg | Note 44 |
09.4 | Fully preserved, including canned or fermented fish and fish products, including mollusks, crustaceans, and echinoderms |
150 mg/kg | Note 140,Note 44 |
14.2.3 | Grape wines |
350 mg/kg | Note 103,Note 44 |
12.2.1 | Herbs and spices |
150 mg/kg | Note 44 |
04.1.2.5 | Jams, jellies, marmelades |
100 mg/kg | Note 44 |
14.2.5 | Mead |
200 mg/kg | Note 44 |
12.4 | Mustards |
250 mg/kg | Note 106,Note 44 |
11.4 | Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings) |
40 mg/kg | Note 44 |
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 |
50 mg/kg | Note 136,Note 44,Note 76 |
11.1.5 | Plantation or mill white sugar |
70 mg/kg | Note 44 |
11.1.2 | Powdered sugar, powdered dextrose |
15 mg/kg | Note 44 |
06.4.3 | Pre-cooked pastas and noodles and like products |
20 mg/kg | Note 44 |
12.6 | Sauces and like products |
300 mg/kg | Note 44 |
12.2.2 | Seasonings and condiments |
200 mg/kg | Note 44 |
09.2.5 | Smoked, dried, fermented, and/or salted fish and fish products, including mollusks, crustaceans, and echinoderms |
30 mg/kg | Note XS311,Note 44 |
15.1 | Snacks - potato, cereal, flour or starch based (from roots and tubers, pulses and legumes) |
50 mg/kg | Note 44 |
11.1.3 | Soft white sugar, soft brown sugar, glucose syrup, dried glucose syrup, raw cane sugar |
20 mg/kg | Note 44,Note 111 |
06.2.2 | Starches |
50 mg/kg | Note 44 |
11.3 | Sugar solutions and syrups, also (partially) inverted, including treacle and molasses, excluding products of food category 11.1.3 |
70 mg/kg | Note 44 |
04.1.1.2 | Surface-treated fresh fruit |
30 mg/kg | Note 204,Note 44 |
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 |
300 mg/kg | Note 205,Note 44 |
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) |
500 mg/kg | Note 38,Note 44 |
14.1.2.2 | Vegetable juice |
50 mg/kg | Note 122,Note 44 |
14.1.3.2 | Vegetable nectar |
50 mg/kg | Note 122,Note 44 |
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 |
100 mg/kg | Note 44 |
12.3 | Vinegars |
100 mg/kg | Note 44 |
14.1.4 | Water-based flavoured drinks, including "sport," "energy," or "electrolyte" drinks and particulated drinks |
70 mg/kg | Note 127,Note 44,Note 143 |
11.1.1 | White sugar, dextrose anhydrous, dextrose monohydrate, fructose |
15 mg/kg | Note 44 |
14.2.4 | Wines (other than grape) |
200 mg/kg | Note 44 |
From www.fao.org
Computed Descriptors
Download SDF2D Structure | |
CID | 1119 |
IUPAC Name | sulfur dioxide |
InChI | InChI=1S/O2S/c1-3-2 |
InChI Key | RAHZWNYVWXNFOC-UHFFFAOYSA-N |
Canonical SMILES | O=S=O |
Molecular Formula | SO2 |
Wikipedia | sulfur dioxide |
From Pubchem
Computed Properties
Property Name | Property Value |
---|---|
Molecular Weight | 64.058 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 0 |
Complexity | 18.3 |
CACTVS Substructure Key Fingerprint | A A A D c Q A A M A B 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 D 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 | 35.1 |
Monoisotopic Mass | 63.962 |
Exact Mass | 63.962 |
XLogP3 | None |
XLogP3-AA | 0.1 |
Compound Is Canonicalized | True |
Formal Charge | 0 |
Heavy Atom Count | 3 |
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+ | 0.9825 |
Human Intestinal Absorption | HIA+ | 0.9897 |
Caco-2 Permeability | Caco2- | 0.5062 |
P-glycoprotein Substrate | Non-substrate | 0.9191 |
P-glycoprotein Inhibitor | Non-inhibitor | 0.9291 |
Non-inhibitor | 0.9969 | |
Renal Organic Cation Transporter | Non-inhibitor | 0.9445 |
Distribution | ||
Subcellular localization | Mitochondria | 0.4289 |
Metabolism | ||
CYP450 2C9 Substrate | Non-substrate | 0.8199 |
CYP450 2D6 Substrate | Non-substrate | 0.8445 |
CYP450 3A4 Substrate | Non-substrate | 0.7826 |
CYP450 1A2 Inhibitor | Non-inhibitor | 0.7569 |
CYP450 2C9 Inhibitor | Non-inhibitor | 0.7626 |
CYP450 2D6 Inhibitor | Non-inhibitor | 0.9150 |
CYP450 2C19 Inhibitor | Non-inhibitor | 0.7961 |
CYP450 3A4 Inhibitor | Non-inhibitor | 0.9862 |
CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8904 |
Excretion | ||
Toxicity | ||
Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.8588 |
Non-inhibitor | 0.9656 | |
AMES Toxicity | Non AMES toxic | 0.5706 |
Carcinogens | Carcinogens | 0.6787 |
Fish Toxicity | Low FHMT | 0.8428 |
Tetrahymena Pyriformis Toxicity | High TPT | 0.5000 |
Honey Bee Toxicity | High HBT | 0.8037 |
Biodegradation | Ready biodegradable | 0.8007 |
Acute Oral Toxicity | II | 0.4449 |
Carcinogenicity (Three-class) | Non-required | 0.6371 |
From admetSAR
ADMET Predicted Profile --- Regression
Model | Value | Unit |
---|---|---|
Absorption | ||
Aqueous solubility | -0.6777 | LogS |
Caco-2 Permeability | 1.0950 | LogPapp, cm/s |
Distribution | ||
Metabolism | ||
Excretion | ||
Toxicity | ||
Rat Acute Toxicity | 2.5276 | LD50, mol/kg |
Fish Toxicity | 1.9674 | pLC50, mg/L |
Tetrahymena Pyriformis Toxicity | -0.0623 | pIGC50, ug/L |
From admetSAR
Taxonomic Classification
Kingdom | Inorganic compounds |
---|---|
Superclass | Homogeneous non-metal compounds |
Class | Other non-metal organides |
Subclass | Other non-metal oxides |
Intermediate Tree Nodes | Not available |
Direct Parent | Other non-metal oxides |
Alternative Parents | |
Molecular Framework | Not available |
Substituents | Other non-metal oxide - Inorganic oxide |
Description | This compound belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'. |
From ClassyFire