hexamethylenetetramine
CAS No.: 100-97-0 Formula: C6H12N4 Molecular Weight: 140.18600

hexamethylenetetramine

CAS No.: 100-97-0 Formula: C6H12N4 Molecular Weight: 140.18600
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Description

Used in the treatment of urinary track infection.

Basic Info

Chemical Name hexamethylenetetramine
Synonyms

Hexamethylenetet; methenamine; Hexamethylenetetramine; Hexamethylenetetramine,contains an anticaking agent; 1,3,5,7-Tetraazaadamantane; 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane; Expand

CAS No. 100-97-0
Molecular Formula C6H12N4
Molecular Weight 140.18600
PSA 12.96000
LogP -1.26820

Properties

Appearance & Physical State white crystalline powder
Density 1.331
Boiling Point 252.7ºC at 760mmHg
Melting Point 280ºC
Flash Point 250ºC
Water Solubility 895 g/L (20 ºC)
Stability Stable. Incompatible with strong acids, strong oxidizing agents.
Storage Condition Store at RT.
Vapor Pressure <0.01 mm Hg ( 20 °C)

Safety Info

RTECS MN4725000
Hazard Class 4.1
Safety Statements S16-S22-S24-S37
HS Code 2933990090
Packing Group III
WGK Germany 1
RIDADR UN 1325/1328
Risk Statements R11; R42/43
Hazard Codes F
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SDS 1.0

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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 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name hexamethylenetetramine

1.2 Other means of identification

Product number -
Other names Hexamethylenetet

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives
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

Flammable solids, Category 2

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H228 Flammable solid

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

Response

P370+P378 In case of fire: Use ... to extinguish.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

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
hexamethylenetetramine hexamethylenetetramine 100-97-0 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

Fresh air, rest. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Give a slurry of activated charcoal in water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. Exposure may cause skin rash and kidney irritation. Inhalation may cause coughing and shortness of breath. It may cause corrosion of the respiratory tract. Skin contact may cause redness, pain, rashes and burns of the skin. Eye contact may cause redness, pain and blurred vision. Ingestion of this compound may cause urinary tract irritation, digestive disturbances, and severe nephritis which may be fatal. If large amounts are ingested it can cause sore throat, abdominal pain, vomiting, diarrhea, painful and frequent urination, and blood in the urine. Large oral doses can also cause gastrointestinal irritation, albuminuria, hemorrhagic cystitis, mild azotemia, gross hematuria and dysuria, with inflammatory lesions in the renal tubules, renal pelvis, and urinary bladder. It can also cause irritation of the bladder, and nausea. Repeated use can lead to skin sensitization with urticaria or dermatitis. Prolonged contact can cause smarting and reddening of the skin. It can produce an asthma-like condition. Kidney damage has been reported. ACUTE/CHRONIC HAZARDS: This compound may be harmful by inhalation, ingestion or skin absorption. It is an irritant of the skin, eyes, mucous membranes and upper respiratory tract. When heated to decomposition it emits toxic fumes of carbon monoxide, carbon dioxide, nitrogen oxides, ammonia, and formaldehyde.

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

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aldehydes and Related Compounds/

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

Special Hazards of Combustion Products: Formaldehyde gas and ammonia may be given off when hot. (USCG, 1999)

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

Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water.

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 vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. 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; Methods and materials for containment and cleaning up: Sweep up and shovel. Contain spillage, and then collect with an electrically protected vacuum cleaner or by wetbrushing and place in container for disposal according to local regulations. 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

Separated from strong acids and strong oxidants. Dry.Keep container tightly closed in a dry and well-ventilated place. Hygroscopic. Storage class (TRGS 510): Flammable solid hazardous materials

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 crystalline powder
Colour Crystallizes from ethanol as colorless, hygroscopic rhombododecahedra.
Odour Odorless
Melting point/ freezing point 280ºC
Boiling point or initial boiling point and boiling range 252.7ºC at 760mmHg
Flammability Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 250ºC
Auto-ignition temperature greater than 371.11°C
Decomposition temperature no data available
pH pH of 0.2 molar aqueous solution: 8.4
Kinematic viscosity no data available
Solubility In water:895 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = -2.18 at pH 7-9, 20°C
Vapour pressure <0.01 mm Hg ( 20 °C)
Density and/or relative density 1.331
Relative vapour density 4.9 (Relative to Air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Combustible.Dust explosion possible if in powder or granular form, mixed with air.HEXAMETHYLENETETRAMINE is hygroscopic. It is sensitive to exposure to heat. This chemical is incompatible with oxidizing agents. It is also incompatible with acids. It reacts violently with sodium peroxide. It reacts explosively with 1-bromopentaborane(9) at temperatures above 90°C. The complex with iodine deflagrates at 137.78°C. The 1:1 addition complex with iodoform has exploded at 177.78°C. It is corrosive to some metals, such as aluminum and zinc . Special Hazards of Combustion Products: Formaldehyde gas and ammonia may be given off when hot (USCG, 1999).

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible materials: Strong acids, acids, strong oxidizing agents

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of formaldehyde and /nitrogen oxides/.

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • 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: Pimephales promelas (Fathead Minnow) 33 days, length 18.8 mm, weight 0.096 g; Conditions: freshwater, flow through, 25.2°C, pH 7.8, hardness 44.9 mg/L CaCO3, dissolved oxygen 5.8 mg/L; Concentration: 49800000 ug/L for 96 hr (95% confidence interval: 44600000-55600000 ug/L) /99% purity
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: In a closed bottle test using a secondary activated sludge inoculum, methenamine was found to be readily biodegradable with 70% biodegraded after 28 days(1). Methenamine was categorized as a synthetic organic chemical unlikely to be removed during biological sewage treatment, even after prolonged exposure of the biota(2). In a 5-day BOD test using a sewage seed, methenamine reached 2.02% of its theoretical BOD(3). Using an activated sludge inoculum, up to 87% removal of methenamine was observed after a 28 day incubation period(4). Methenamine was not degraded in the SCAS test, but it was degraded during 28-day die-away tests(5); no rates were given(SRC). Methenamine, present at 30 mg/L, reached 22% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 100 mg/L in the Japanese MITI test(6); degradation based on TOC and other parameters was 48% suggesting an abiotic hydrolysis component of the degradation(SRC). Methenamine was degraded in various screening tests (>70% DOC, >60% ThoD), but not in activated sludge simulation tests (<25% DOC removal)(7); it was suggested that methenamine would undergo hydrolysis or auto-oxidation in the 28-day screening tests to form biodegradable products, which are not produced in sufficient quantity in 3-hour simulation tests(7). It was observed that methenamine could inhibit degradation, by lowering microbial populations, in both sewage and activated sludge tests depending on concentration(8). Various biological screening studies have observed between 28-100% degradation of methenamine(9); part (or most) of the degradation can be explained by hydrolysis to form formaldehyde and ammonia followed by biodegradation(9); the degradation rate increases with acidity(9).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for methenamine(SRC), using a log Kow of -2.18(1) and a regression-derived equation(2). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc for methenamine can be estimated to be about 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that methenamine is expected to have very high mobility in soil(SRC). The pKa of methenamine is 4.89(3), indicating that this compound will exist partially in 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: UN1325 IMDG: UN1325 IATA: UN1325

14.2 UN Proper Shipping Name

ADR/RID: FLAMMABLE SOLID, ORGANIC, N.O.S.
IMDG: FLAMMABLE SOLID, ORGANIC, N.O.S.
IATA: FLAMMABLE SOLID, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 4.1 IMDG: 4.1 IATA: 4.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

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
hexamethylenetetramine hexamethylenetetramine 100-97-0 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 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 17, 2017
Revision Date Aug 17, 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.
MSDS Expand
1H NMR : parameter in CDCl3Expand

NMR Spectrum 1H NMR : parameter in CDCl3

Collapse

C6 H12 N4 0.049 g : 0.5 ml CDCl3
1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane

Parameter ppm Hz
D(A) 4.719

IR : KBr discExpand
Mass spectrum (electron ionization)Expand
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Subcutaneous LDLo - Lowest published lethal dose Rodent - rat 200 mg/kg 1.Details of toxic effects not reported other than lethal dose value
Intravenous LD50 - Lethal dose, 50 percent kill Rodent - rat 9200 mg/kg 1.Details of toxic effects not reported other than lethal dose value
Parenteral LDLo - Lowest published lethal dose Rodent - rat 200 mg/kg 1.Details of toxic effects not reported other than lethal dose value
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