Chlorhexidine Acetate
Basic information
- CAS
56-95-1- Standard SMILES
CC(=O)O.CC(=O)O.NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1- InChIKey
WDRFFJWBUDTUCA-UHFFFAOYSA-N- Molecular formula
- C22H30Cl2N10.2C2H4O2
- Average molar mass
- 625.5 g/mol
- Monoisotopic mass
- 624.2454551
Overview
Chlorhexidine acetate is the acetate salt of chlorhexidine. It is a disinfectant used for bacterial control in hospital, agricultural and domestic environments. It has a role as an antibacterial agent, an antiinfective agent, an antifungal agent and an antifouling biocide. It contains a chlorhexidine.
Names & identifiers
- Preferred name
- Chlorhexidine Acetate
- IUPAC
- acetic acid;(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
- English name
- Chlorhexidine Diacetate
- Molecular formula
- C26H38Cl2N10O4
- Molecular weight
- 625.55
Names & synonyms
Chlorhexidine diacetateChlorhexidine acetate56-95-1Hibitane diacetate10,040 DiacetateChlorhexidini diacetasDTXSID7032345Chlorohexidine diacetateNail fungus cream5908ZUF22YNSC-526936Chlorhexidine acetate (USP)
Show more names
Hibitaneacetate1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane1,1'BactigrasArlacide A10,040diacetateChlorhexidine diorhexidine Diacetate
Chlorhexidine acetate [USP]SerdaenGout OintmentDTXCID5012345CHEBI:81711Bacteriostatic gel1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetateanti-bacterial gel
Database identifiers
- CAS
56-95-1- PubChem CID
- 9562059
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 252 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 679
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biocides/Disinfectants
Cosmetics
Cosmetics ingredient -> Preservative/Stabilizer
Cosmetic ingredients (Chlorhexidine Diacetate) -> CIR (Cosmetic Ingredient Review)
Preservative
Animal DrugsFDA approved animal drugs -> Active ingredient
Physical DescriptionWhite odorless solid; [Reference #1] White powder; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 153 · 153-156°C
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 15 mg/mL, clear
- form
- Solid
- color
- White to Almost white
- Water Solubility
- 1.9 g/100 · 1.9 g/100 mL (20 ºC)
- Merck
- 14 · 14,2091
- Major Application
- pharmaceutical (small molecule)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.9% (2 of 108) of reports.
Danger
H301 (49.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 108 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate
Hazard Traits - Bioaccumulation; Environmental Persistence; Environmental tox
Chlorhexidine diacetate: HSNO Approval: HSR003713 Approved with controls
Other Safety InformationIMAP assessments - Chlorhexidine: Human health tier II assessment
Hazards Summary
A mild skin irritant; [RTECS] Chlorhexidine salts (gluconate, acetate, and dihydrochloride) are rarely sensitizing (plain and photo). [Marks, p. 229] Hepatic effects (decreased enzyme activity and histopathological changes) and minor irritation observed in female rabbits in 13-week dermal study; Severely toxic in primary eye irritation study; No evidence of developmental toxicity; [Reference #1] May cause irritation; A photosensitizer;[Aldrich MSDS] See Chlorhexidine.
Hazard Classes and Categories
Acute Tox. 3 (49.1%)
Eye damage - category 1
Toxicology
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)
Solutions for rinsing the mouth, possessing cleansing, germicidal, or palliative properties. (From Boucher's Clinical Dental Terminology, 4th ed)
Uses & manufacturing
Uses
CIR ingredient: Chlorhexidine Diacetate
Used as disinfectant for agricultural facilities (including egg, meat, and poultry processing); Also used to control viruses in some veterinary applications; Marketed as 2% soluble concentrates or liquids; [Reference #1]
Using Disinfectants or Biocides [Category: Clean]
Household Products
Cosmetics product ingredient: Chlorhexidine diacetate
Information on 3 consumer products that contain Chlorhexidine acetate in the following categories is provided:
Use ClassificationCosmetics -> Preservative
Applications
UsesChlorhexidine Diacetate is a disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque. Chlorhexidine is a cationic broad-spectrum antimicrobial agent belonging to the bis(biguanide) family. Its mechanism of action involves destabilization of the outer bacterial membrane. It is effective on both Gram-positive and Gram-negative bacteria, although it is less effective with some Gram-negative bacteria. It has both bactericidal and bacteriostatic mechanisms of action. Aqueous solutions of chlorhexidine are most stable within the pH range of 5-8. Above pH 8.0 chlorhexidine base is precipitated and in more acid conditions there is gradual deterioration of activity because the compound is less stable. Chlorhexidine is used primarily as a topical antiseptic/disinfectant in wound healing, at catheterization sites, in various dental applications and in surgical scrubs.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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