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Home> Hot Product Listed C   > chlorhexidine

chlorhexidine

CAS No.:55-56-1
EINECS(EC#):200-238-7
Molecular Weight:505.45
Molecular Formula:C22H30Cl2N10 (Products with the same molecular formula)
MOL File:55-56-1.mol
Names and Identifiers
Synonyms

Chlorohexidine baseChlorhexidine Base 5,5-bis(4-chlorophenyl)-1,1-hexamethylenedibiguanidechlorhexidine

Inchi
InChI=1/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
Canonical Smiles
C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
Isomers Smiles
C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl
Properties
Appearance
white powder
Density
1.39 g/cm3
Melting Point
132-136℃
Boiling Point

Vapour density:
Flash Point
312
Water
0.08 g/100 mL (20℃)
Solubilities
slightly
Color/Form
Crystals from methanol
Solid
Stability
Stable. Incompatible with strong oxidizing agents.
Storage temp
Keep tightly closed.
Safety and Handling
Hazard Codes
Xi:Irritant
Risk Statements
R36/37/38;R51/53
Safety Statements
S26;S36/37;S60;S61
HazardClass
9
PackingGroup
III
Skin, Eye, and Respiratory Irritations
Causes moderate eye irritation. /0.01% Chlorhexidine diacetate, from Cougar product label/
Irritating to eye and mucous membranes. /Nolvasan-S, Chlorhexidine diacetate/
Chlorhexidine diacetate ...is highly acutely toxic when applied to the eye. /Chlorhexidine diacetate/
Transport
UN 3077
Formulations/Preparations
0.12% oral solution: Peridex (Zila), Periogard (Colgate oral pharmaceuticals)
Pellet extended-release; 2.5 mg PerioChip (Dexcel Pharma)
Trade names for various chlorhexidine salts and formulations: chlorhexidine: Sterilon, Hibitane, Rotersept; chlorhexidine dihydrochloride: Lisium, Arlacide H, AY-5312; chlorhexidine diacetate: Hibitane diacetate, Novalsan; chlorhexidine digluconate: Abacil, anti Plaque, Arlacide G, Bacticlens, Chlorhexamed, Disteryl, Orahexal, Septeal, Unisept, Corsodyl, Hibiclens, Hibidil, Hibiscrub, Hibitane, Larylin, Peridex, Plac out, Plurexid, Rotersept, Savacol, Solvahex.
Exposure Standards and Regulations
The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription and over-the-counter drug products, incl chlorhexidine gluconate, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Chlorhexidine gluconate/
Ophthalmic and topical dosage form new animal drugs. Chlorhexidine ointment. The product contains 1% chlorhexidine acetate in an ointment base. Indications for use: use as a topical antiseptic ointment for surface wounds on dogs, cats, and horses. Limitations: Not for use in horses intended for food.
Certain other dosage form new animal drugs. chlorhexidine tablets and suspension. Each tablet and each 28-mL syringe of suspension contain 1 g of chlorhexidine dihydrochloride. Indications for use: for prevention or treatment of metritis and vaginitis in cows and mares when caused by pathogens sensitive to chlorhexidine dihydrochloride.
Tolerances for residues of new animal drugs in food. A tolerance of zero is established for residues of chlorhexidine in the uncooked edible tissues of calves.
Reactivities and Incompatibilities
Strong alkaline reaction.
Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Protective Equipment and Clothing
Causes moderate eye irritation. /0.01% Chlorhexidine diacetate, from Cougar product label/
Irritating to eye and mucous membranes. /Nolvasan-S, Chlorhexidine diacetate/
Chlorhexidine diacetate ...is highly acutely toxic when applied to the eye. /Chlorhexidine diacetate/
Octanol/Water Partition Coefficient
log Kow = 0.080 @ pH 5
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Evonik Nutrition & Care GmbH 2013
Fine Organics Limited 2013
INTERTEK FRANCE 2013
more >
MSDS

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name chlorhexidine

1.2 Other means of identification

Product number -
Other names Chlorhexidin

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
chlorhexidine chlorhexidine 55-56-1 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

1. If a highly concentrated solution is ingested, manage as a caustic ingestion ... , without gastrointestinal decontamination.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Accidental Release Measures. Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state white powder
Colour Crystals from methanol
Odour no data available
Melting point/ freezing point 132-136\u00baC
Boiling point or initial boiling point and boiling range no data available
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point no data available
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:0.08 g/100 mL (20 \u00baC)
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 1.98X10-14 mm Hg at 25\u00b0C (est)
Density and/or relative density 1.39 g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under ambient warehouse conditions to moisture and simulated sunlight. /Chlorhexidine diacetate/

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong alkaline reaction.

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 5,000 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50; Species: /Oncorhynchus mykiss/ (Rainbow trout); Concentration: 1.3 ug/L for 96 hr /Conditions of bioassay not specified in source examined
  • Toxicity to daphnia and other aquatic invertebrates: LC50; Species: Daphnia magna (Water flea); Concentration: 250 ug/L for 48 hr /Conditions of bioassay not specified in source examined
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Chlorhexidine is classified as non-biodegradable(1). Under aerobic conditions chlorhexidine, present at 12 mg/L in a mineral salts solution, achieved 0% degradation after 3 weeks in soil extract inoculum using the OECD Minimal test; yet, achieved 60-100% degradation after 3 weeks using a OECD continuous flow synthetic Organic-Medium test with adapted sludge inoculum(2). Chlorhexidine, present at 5.35 ppm, resulted in 0% COD after 28 days using an activated sludge inoculum at 1.5 mg/L in the Closed Bottle test(3). Chlorhexidine, present at 0.05 ppm, resulted in 0.1% CO2 evolution, 94.3% non-extractable residues, and 0.2% volatilization after 5 days using an activated sludge inoculum(4).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for chlorhexidine(SRC), using a log Kow of 0.08(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low. Golden ide fish (Leuciscus idus melanotus) exposed to 0.05 ng/L chlorhexidine for 3 days resulted in a bioaccumulation factor (concentration of chemical in fish/concentration of chemical in water ug/g) of 40(4), which indicates a low bioconcentration potential(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of chlorhexidine can be estimated to be 8.5X10+5(SRC). According to a classification scheme(2), this estimated Koc value suggests that chlorhexidine is expected to be immobile in soil. Values for pKa are 7.63, 9.92, 8.22 and 10.52(3), indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN3077 IMDG: UN3077 IATA: UN3077

14.2 UN Proper Shipping Name

ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IATA: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 9 IMDG: 9 IATA: 9

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
chlorhexidine chlorhexidine 55-56-1 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 13, 2017
Revision Date Aug 13, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

NMR Spectrum
Computational chemical data

Molecular Weight:505.4466 [g/mol]
Molecular Formula:C22H30Cl2N10
XLogP3:0.1
H-Bond Donor:6
H-Bond Acceptor:2
Rotatable Bond Count:13
Tautomer Count:36
Exact Mass:504.203196
MonoIsotopic Mass:504.203196
Topological Polar Surface Area:178
Heavy Atom Count:34
Formal Charge:0
Complexity:649
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:2
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:6
Feature 3D Cation Count:4
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:13
Conformer Sampling RMSD:1.2
CID Conformer Count:149