Hydrochloric acid
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by WHO:
General Information
| Chemical name | Hydrochloric acid |
| E No. | E 507 |
| INS. | 507 |
| CAS number | 7647-01-0 |
| Group | No |
| Component of the group |
Group I, Additives (Group I) |
From webgate.ec.europa.eu
Authorisation of the use of this additive in Food Additives
The additive is authorised to be used in the following category(ies):
| category(ies) | Individual restriction(s)/exception(s) | footnote |
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From webgate.ec.europa.eu
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 313 |
| IUPAC Name | chlorane |
| InChI | InChI=1S/ClH/h1H |
| InChI Key | VEXZGXHMUGYJMC-UHFFFAOYSA-N |
| Canonical SMILES | Cl |
| Molecular Formula | HCl |
| Wikipedia | hydrochloric acid |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 36.458 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 0.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A A A A E 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 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 | 0.0 |
| Monoisotopic Mass | 35.977 |
| Exact Mass | 35.977 |
| XLogP3 | None |
| XLogP3-AA | 0.8 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 1 |
| 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+ | 0.9794 |
| Human Intestinal Absorption | HIA+ | 0.9950 |
| Caco-2 Permeability | Caco2+ | 0.7363 |
| P-glycoprotein Substrate | Non-substrate | 0.9026 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9848 |
| Non-inhibitor | 0.9871 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9130 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.5086 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8116 |
| CYP450 2D6 Substrate | Non-substrate | 0.6904 |
| CYP450 3A4 Substrate | Non-substrate | 0.7701 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.7538 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8969 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9584 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8609 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9686 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8869 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9522 |
| Non-inhibitor | 0.9694 | |
| AMES Toxicity | Non AMES toxic | 0.6246 |
| Carcinogens | Carcinogens | 0.7983 |
| Fish Toxicity | High FHMT | 0.5000 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.7346 |
| Honey Bee Toxicity | High HBT | 0.8515 |
| Biodegradation | Not ready biodegradable | 0.6134 |
| Acute Oral Toxicity | III | 0.7632 |
| Carcinogenicity (Three-class) | Non-required | 0.5156 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.0452 | LogS |
| Caco-2 Permeability | 1.5945 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 1.7902 | LD50, mol/kg |
| Fish Toxicity | 0.9960 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.3641 | pIGC50, ug/L |
From admetSAR
Toxicity Profile
| Route of Exposure | Inhalation; Ingestion; Dermal; Eyes |
|---|---|
| Mechanism of Toxicity | Both hydrogen chloride gas and hydrochloric acid are highly corrosive. Many strong acids cause tissue burns through the denaturation of proteins and partial hydrolysis of proteins. Most proteins denature at pH values of less than 3-4. The large-scale denaturation of proteins, de-esterification of lipids and subsequent desiccation of tissues leads to chemical burns. Symptoms include itching, bleaching or darkening of skin or tissues, blistering and burning sensations. |
| Metabolism | |
| Toxicity Values | LD50 [oral, rat]; 700 mg/kg; LD50 [rat]; 3124 ppm (1 hour) |
| Lethal Dose | 2857 ug/kg (Oral), 1300 ppm/30 minutes (inhalation) |
| Carcinogenicity (IARC Classification) | 3, not classifiable as to its carcinogenicity to humans. |
| Minimum Risk Level | Occupational exposure limits for hydrogen chloride (gas) have been set at 5 ppm |
| Health Effects | Hydrogen chloride forms corrosive hydrochloric acid on contact with water found in body tissue. Inhalation of the fumes can cause coughing, choking, inflammation of the nose, throat, and upper respiratory tract, and in severe cases, pulmonary edema, circulatory system failure, and death. Skin contact can cause redness, pain, and severe skin burns. Both hydrogen chloride gas and hydrochloric acid may cause severe burns to the eye and permanent eye damage. Severe and rapid corrosive burns of the mouth, gullet and gastrointestinal tract will result if hydrochloric acid is swallowed. Symptoms include burning, choking, nausea, vomiting and severe pain. Concentrated hydrochloric acid (fuming hydrochloric acid) forms acidic mists. Both the mist and the solution have a corrosive effect on human tissue, with the potential to damage respiratory organs, eyes, skin, and intestines irreversibly. Upon mixing hydrochloric acid with common oxidizing chemicals, such as sodium hypochlorite (bleach, NaClO) or potassium permanganate (KMnO4), the toxic gas chlorine is produced. Chronic exposure to hydrogen chloride can lead to liver damage, bleeding of nose and gums, nasal and oral mucosal ulceration, conjunctivitis, yellowing of teeth and erosion of tooth enamel as well as dermatitis. |
| Treatment | The mainstay of treatment of any acid burn is copious irrigation with large amounts of tap water. To be most effective, treatment should be started immediately after exposure, preferably before arrival in the emergency department. Remove any contaminated clothing. Do not attempt to neutralize the burn with weak reciprocal chemicals (i.e. alkali for acid burns), because the heat generated from the chemical reaction may cause severe thermal injury. |
| Reference |
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From T3DB
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Homogeneous non-metal compounds |
| Class | Halogen organides |
| Subclass | Halogen hydrides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halogen hydrides |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Halogen hydride - Inorganic hydride |
| Description | This compound belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen. |
From ClassyFire